N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide

C30H37N5O2 — CID 10141719

IUPACN-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)CCN(C(=O)CCc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C30H37N5O2/c1-34(2)18-19-35(28(36)17-16-24-21-32-27-11-7-6-10-26(24)27)29(23-14-12-22(20-31)13-15-23)30(37)33-25-8-4-3-5-9-25/h6-7,10-15,21,25,29,32H,3-5,8-9,16-19H2,1-2H3,(H,33,37)
InChIKeyPXPOGYHVSBCPSZ-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.55
Rot. Bonds10

About N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide

N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 10141719) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID10141719
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC NameN-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)CCN(C(=O)CCc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C30H37N5O2/c1-34(2)18-19-35(28(36)17-16-24-21-32-27-11-7-6-10-26(24)27)29(23-14-12-22(20-31)13-15-23)30(37)33-25-8-4-3-5-9-25/h6-7,10-15,21,25,29,32H,3-5,8-9,16-19H2,1-2H3,(H,33,37)
InChIKeyPXPOGYHVSBCPSZ-UHFFFAOYSA-N
XLogP4.55
TPSA92.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 98099116
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[2-(2-methylphenyl)ethyl]amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 98097670
N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 43811744
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 25308956
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 3190827
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-fluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 98099113
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
CID 1432663
(2R)-N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 25309081
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(3-methylphenyl)propanamide
CID 3191835
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-ethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 3191893
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 3190749
(2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-[4-(dimethylamino)phenyl]acetamide
CID 98097722

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide (CID 10141719) is N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide is CN(C)CCN(C(=O)CCc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is PXPOGYHVSBCPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2/c1-34(2)18-19-35(28(36)17-16-24-21-32-27-11-7-6-10-26(24)27)29(23-14-12-22(20-31)13-15-23)30(37)33-25-8-4-3-5-9-25/h6-7,10-15,21,25,29,32H,3-5,8-9,16-19H2,1-2H3,(H,33,37).
What are the key properties of N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 499.66 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 10141719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).