N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide

C47H86N12O12 — CID 158652693

IUPACN-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide
SMILESCCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(C)C.CNC(=O)CCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(C)C
InChIInChI=1S/C26H47N7O7.C21H39N5O5/c1-19(2)7-13-28-22(36)9-15-30-24(38)11-17-32-26(40)12-18-33-25(39)10-16-31-23(37)8-14-29-21(35)6-4-5-20(34)27-3;1-4-5-17(27)23-12-7-19(29)25-14-9-21(31)26-15-10-20(30)24-13-8-18(28)22-11-6-16(2)3/h19H,4-18H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,32,40)(H,33,39);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,30)(H,25,29)(H,26,31)
InChIKeyIBTAWFJNJNPWRY-UHFFFAOYSA-N
MW1011.28 g/mol
LogP-1.43
Rot. Bonds39

About N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide

N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide (PubChem CID 158652693) has the molecular formula C47H86N12O12 and a molecular weight of 1011.28 g/mol. Its IUPAC name is N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide.

Molecular Properties

Compound NameN-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide
PubChem CID158652693
Molecular FormulaC47H86N12O12
Molecular Weight1011.28 g/mol
Exact Mass1010.65
IUPAC NameN-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide
SMILESCCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(C)C.CNC(=O)CCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(C)C
InChIInChI=1S/C26H47N7O7.C21H39N5O5/c1-19(2)7-13-28-22(36)9-15-30-24(38)11-17-32-26(40)12-18-33-25(39)10-16-31-23(37)8-14-29-21(35)6-4-5-20(34)27-3;1-4-5-17(27)23-12-7-19(29)25-14-9-21(31)26-15-10-20(30)24-13-8-18(28)22-11-6-16(2)3/h19H,4-18H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,32,40)(H,33,39);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,30)(H,25,29)(H,26,31)
InChIKeyIBTAWFJNJNPWRY-UHFFFAOYSA-N
XLogP-1.43
TPSA349.20 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.28
LogP ≤ 5-1.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Analyze N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide with MolForge

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Related Compounds

N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-butyl-7-methyloctanamide
CID 154028337
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-hexyl-6-methylheptanamide
CID 141197249
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-(3,3-difluoropropyl)butanamide
CID 147098310

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide?
The IUPAC name of N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide (CID 158652693) is N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide.
What is the SMILES notation for N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide?
The canonical SMILES for N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide is CCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(C)C.CNC(=O)CCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(=O)NCCC(C)C.
What is the InChIKey of N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide?
The InChIKey is IBTAWFJNJNPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N7O7.C21H39N5O5/c1-19(2)7-13-28-22(36)9-15-30-24(38)11-17-32-26(40)12-18-33-25(39)10-16-31-23(37)8-14-29-21(35)6-4-5-20(34)27-3;1-4-5-17(27)23-12-7-19(29)25-14-9-21(31)26-15-10-20(30)24-13-8-18(28)22-11-6-16(2)3/h19H,4-18H2,1-3H3,(H,27,34)(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,32,40)(H,33,39);16H,4-15H2,1-3H3,(H,22,28)(H,23,27)(H,24,30)(H,25,29)(H,26,31).
What are the key properties of N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide?
N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide has a molecular weight of 1011.28 g/mol, XLogP of -1.43, 39 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide is sourced from PubChem (CID 158652693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).