N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

C141H172N20O11 — CID 54087158

IUPACN-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCCCC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCCN.CCCCCNC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCCN.CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1)C1CCNCC1.CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(Cc1ccc2ccccc2c1)C(=O)NC1CCNCC1
InChIInChI=1S/C38H45N5O3.C36H44N6O3.C34H42N4O2.C33H41N5O3/c1-43(35(37(45)41-33-16-20-40-21-17-33)25-27-11-13-29-7-3-5-9-32(29)23-27)38(46)34(42-36(44)30-14-18-39-19-15-30)24-26-10-12-28-6-2-4-8-31(28)22-26;1-42(29-14-18-38-19-15-29)36(45)33(21-24-10-11-25-6-2-3-7-27(25)20-24)41-35(44)32(40-34(43)26-12-16-37-17-13-26)22-28-23-39-31-9-5-4-8-30(28)31;1-2-3-8-19-36-31(23-25-14-16-27-10-4-6-12-29(27)21-25)34(40)38-32(33(39)37-20-9-18-35)24-26-15-17-28-11-5-7-13-30(28)22-26;1-3-4-14-31(39)38(2)30(21-26-22-36-28-13-8-7-12-27(26)28)33(41)37-29(32(40)35-18-9-17-34)20-23-15-16-24-10-5-6-11-25(24)19-23/h2-13,22-23,30,33-35,39-40H,14-21,24-25H2,1H3,(H,41,45)(H,42,44);2-11,20,23,26,29,32-33,37-39H,12-19,21-22H2,1H3,(H,40,43)(H,41,44);4-7,10-17,21-22,31-32,36H,2-3,8-9,18-20,23-24,35H2,1H3,(H,37,39)(H,38,40);5-8,10-13,15-16,19,22,29-30,36H,3-4,9,14,17-18,20-21,34H2,1-2H3,(H,35,40)(H,37,41)
InChIKeyMRHBKWUTSVWGFF-UHFFFAOYSA-N
MW2323.06 g/mol
LogP16.19
Rot. Bonds49

About N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 54087158) has the molecular formula C141H172N20O11 and a molecular weight of 2323.06 g/mol. Its IUPAC name is N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID54087158
Molecular FormulaC141H172N20O11
Molecular Weight2323.06 g/mol
Exact Mass2321.35
IUPAC NameN-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCCCC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCCN.CCCCCNC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCCN.CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1)C1CCNCC1.CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(Cc1ccc2ccccc2c1)C(=O)NC1CCNCC1
InChIInChI=1S/C38H45N5O3.C36H44N6O3.C34H42N4O2.C33H41N5O3/c1-43(35(37(45)41-33-16-20-40-21-17-33)25-27-11-13-29-7-3-5-9-32(29)23-27)38(46)34(42-36(44)30-14-18-39-19-15-30)24-26-10-12-28-6-2-4-8-31(28)22-26;1-42(29-14-18-38-19-15-29)36(45)33(21-24-10-11-25-6-2-3-7-27(25)20-24)41-35(44)32(40-34(43)26-12-16-37-17-13-26)22-28-23-39-31-9-5-4-8-30(28)31;1-2-3-8-19-36-31(23-25-14-16-27-10-4-6-12-29(27)21-25)34(40)38-32(33(39)37-20-9-18-35)24-26-15-17-28-11-5-7-13-30(28)22-26;1-3-4-14-31(39)38(2)30(21-26-22-36-28-13-8-7-12-27(26)28)33(41)37-29(32(40)35-18-9-17-34)20-23-15-16-24-10-5-6-11-25(24)19-23/h2-13,22-23,30,33-35,39-40H,14-21,24-25H2,1H3,(H,41,45)(H,42,44);2-11,20,23,26,29,32-33,37-39H,12-19,21-22H2,1H3,(H,40,43)(H,41,44);4-7,10-17,21-22,31-32,36H,2-3,8-9,18-20,23-24,35H2,1H3,(H,37,39)(H,38,40);5-8,10-13,15-16,19,22,29-30,36H,3-4,9,14,17-18,20-21,34H2,1-2H3,(H,35,40)(H,37,41)
InChIKeyMRHBKWUTSVWGFF-UHFFFAOYSA-N
XLogP16.19
TPSA437.50 Ų
H-Bond Donors17
H-Bond Acceptors18
Rotatable Bonds49
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002323.06
LogP ≤ 516.19
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 54087158) is N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is CCCCC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCCN.CCCCCNC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCCN.CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1)C1CCNCC1.CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(Cc1ccc2ccccc2c1)C(=O)NC1CCNCC1.
What is the InChIKey of N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is MRHBKWUTSVWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N5O3.C36H44N6O3.C34H42N4O2.C33H41N5O3/c1-43(35(37(45)41-33-16-20-40-21-17-33)25-27-11-13-29-7-3-5-9-32(29)23-27)38(46)34(42-36(44)30-14-18-39-19-15-30)24-26-10-12-28-6-2-4-8-31(28)22-26;1-42(29-14-18-38-19-15-29)36(45)33(21-24-10-11-25-6-2-3-7-27(25)20-24)41-35(44)32(40-34(43)26-12-16-37-17-13-26)22-28-23-39-31-9-5-4-8-30(28)31;1-2-3-8-19-36-31(23-25-14-16-27-10-4-6-12-29(27)21-25)34(40)38-32(33(39)37-20-9-18-35)24-26-15-17-28-11-5-7-13-30(28)22-26;1-3-4-14-31(39)38(2)30(21-26-22-36-28-13-8-7-12-27(26)28)33(41)37-29(32(40)35-18-9-17-34)20-23-15-16-24-10-5-6-11-25(24)19-23/h2-13,22-23,30,33-35,39-40H,14-21,24-25H2,1H3,(H,41,45)(H,42,44);2-11,20,23,26,29,32-33,37-39H,12-19,21-22H2,1H3,(H,40,43)(H,41,44);4-7,10-17,21-22,31-32,36H,2-3,8-9,18-20,23-24,35H2,1H3,(H,37,39)(H,38,40);5-8,10-13,15-16,19,22,29-30,36H,3-4,9,14,17-18,20-21,34H2,1-2H3,(H,35,40)(H,37,41).
What are the key properties of N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 2323.06 g/mol, XLogP of 16.19, 49 rotatable bonds, 17 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylpentanamide;N-[1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-naphthalen-2-yl-2-(pentylamino)propanamide;N-[3-(1H-indol-3-yl)-1-[[1-[methyl(piperidin-4-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide;N-[1-[methyl-[3-naphthalen-2-yl-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 54087158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).