N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide

C32H45N3O3 — CID 24718600

IUPACN-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
SMILESCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C32H45N3O3/c1-5-6-7-8-9-14-31(36)35(22-25(2)3)24-32(37)34(23-26-15-17-28(38-4)18-16-26)20-19-27-21-33-30-13-11-10-12-29(27)30/h10-13,15-18,21,25,33H,5-9,14,19-20,22-24H2,1-4H3
InChIKeyRTSDKGVJTJGIKU-UHFFFAOYSA-N
MW519.73 g/mol
LogP6.59
Rot. Bonds16

About N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide (PubChem CID 24718600) has the molecular formula C32H45N3O3 and a molecular weight of 519.73 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
PubChem CID24718600
Molecular FormulaC32H45N3O3
Molecular Weight519.73 g/mol
Exact Mass519.35
IUPAC NameN-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
SMILESCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C32H45N3O3/c1-5-6-7-8-9-14-31(36)35(22-25(2)3)24-32(37)34(23-26-15-17-28(38-4)18-16-26)20-19-27-21-33-30-13-11-10-12-29(27)30/h10-13,15-18,21,25,33H,5-9,14,19-20,22-24H2,1-4H3
InChIKeyRTSDKGVJTJGIKU-UHFFFAOYSA-N
XLogP6.59
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.73
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 42770529
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]dodecanamide
CID 42664117
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)decanamide
CID 24717882
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4149156
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 3457566
N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 3637218
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 4196541
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4055356
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylnonanamide
CID 42772477
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 24717883
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 4048616
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methoxy-N-propylbenzamide
CID 5047738

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide?
The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide (CID 24718600) is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide.
What is the SMILES notation for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide?
The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide is CCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)CC(C)C.
What is the InChIKey of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide?
The InChIKey is RTSDKGVJTJGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O3/c1-5-6-7-8-9-14-31(36)35(22-25(2)3)24-32(37)34(23-26-15-17-28(38-4)18-16-26)20-19-27-21-33-30-13-11-10-12-29(27)30/h10-13,15-18,21,25,33H,5-9,14,19-20,22-24H2,1-4H3.
What are the key properties of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide?
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide has a molecular weight of 519.73 g/mol, XLogP of 6.59, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide is sourced from PubChem (CID 24718600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).