N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide

C29H37N3O2 — CID 42772538

IUPACN-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C2CCCC2)C(C)C)cc1
InChIInChI=1S/C29H37N3O2/c1-21(2)32(29(34)24-8-4-5-9-24)20-28(33)31(19-23-14-12-22(3)13-15-23)17-16-25-18-30-27-11-7-6-10-26(25)27/h6-7,10-15,18,21,24,30H,4-5,8-9,16-17,19-20H2,1-3H3
InChIKeyPDCXIFUOAUMVEE-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.47
Rot. Bonds9

About N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 42772538) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID42772538
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC NameN-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C2CCCC2)C(C)C)cc1
InChIInChI=1S/C29H37N3O2/c1-21(2)32(29(34)24-8-4-5-9-24)20-28(33)31(19-23-14-12-22(3)13-15-23)17-16-25-18-30-27-11-7-6-10-26(25)27/h6-7,10-15,18,21,24,30H,4-5,8-9,16-17,19-20H2,1-3H3
InChIKeyPDCXIFUOAUMVEE-UHFFFAOYSA-N
XLogP5.47
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 4086438
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 4184088
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42772544
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4601556
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4581832
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 4054032
3,5-dichloro-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5097734
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclohexanecarboxamide
CID 4095476
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42770579

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (CID 42772538) is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C2CCCC2)C(C)C)cc1.
What is the InChIKey of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is PDCXIFUOAUMVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-21(2)32(29(34)24-8-4-5-9-24)20-28(33)31(19-23-14-12-22(3)13-15-23)17-16-25-18-30-27-11-7-6-10-26(25)27/h6-7,10-15,18,21,24,30H,4-5,8-9,16-17,19-20H2,1-3H3.
What are the key properties of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 459.63 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 42772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).