N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C30H38N4O2 — CID 15104601

IUPACN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C30H38N4O2/c1-3-5-11-17-34(18-12-6-4-2)30(36)28(20-23-21-31-26-16-10-8-14-24(23)26)33-29(35)27-19-22-13-7-9-15-25(22)32-27/h7-10,13-16,19,21,28,31-32H,3-6,11-12,17-18,20H2,1-2H3,(H,33,35)/t28-/m1/s1
InChIKeyCUHBJSYSJYOUJS-MUUNZHRXSA-N
MW486.66 g/mol
LogP6.20
Rot. Bonds13

About N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 15104601) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID15104601
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C30H38N4O2/c1-3-5-11-17-34(18-12-6-4-2)30(36)28(20-23-21-31-26-16-10-8-14-24(23)26)33-29(35)27-19-22-13-7-9-15-25(22)32-27/h7-10,13-16,19,21,28,31-32H,3-6,11-12,17-18,20H2,1-2H3,(H,33,35)/t28-/m1/s1
InChIKeyCUHBJSYSJYOUJS-MUUNZHRXSA-N
XLogP6.20
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 15104601) is N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is CUHBJSYSJYOUJS-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-3-5-11-17-34(18-12-6-4-2)30(36)28(20-23-21-31-26-16-10-8-14-24(23)26)33-29(35)27-19-22-13-7-9-15-25(22)32-27/h7-10,13-16,19,21,28,31-32H,3-6,11-12,17-18,20H2,1-2H3,(H,33,35)/t28-/m1/s1.
What are the key properties of N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 486.66 g/mol, XLogP of 6.20, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15104601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).