2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide

C38H49N3O2 — CID 10438192

IUPAC2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide
SMILESCC(C)CC1CC(C)CC(C)C1NC(=O)c1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1
InChIInChI=1S/C38H49N3O2/c1-22(2)11-31-13-23(3)12-24(4)35(31)41-36(42)29-7-10-33-30(17-29)18-34(40-33)28-5-8-32(9-6-28)39-37(43)38-19-25-14-26(20-38)16-27(15-25)21-38/h5-10,17-18,22-27,31,35,40H,11-16,19-21H2,1-4H3,(H,39,43)(H,41,42)
InChIKeyURQLSCWUVLJPJY-UHFFFAOYSA-N
MW579.83 g/mol
LogP8.82
Rot. Bonds7

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide (PubChem CID 10438192) has the molecular formula C38H49N3O2 and a molecular weight of 579.83 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide
PubChem CID10438192
Molecular FormulaC38H49N3O2
Molecular Weight579.83 g/mol
Exact Mass579.38
IUPAC Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide
SMILESCC(C)CC1CC(C)CC(C)C1NC(=O)c1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1
InChIInChI=1S/C38H49N3O2/c1-22(2)11-31-13-23(3)12-24(4)35(31)41-36(42)29-7-10-33-30(17-29)18-34(40-33)28-5-8-32(9-6-28)39-37(43)38-19-25-14-26(20-38)16-27(15-25)21-38/h5-10,17-18,22-27,31,35,40H,11-16,19-21H2,1-4H3,(H,39,43)(H,41,42)
InChIKeyURQLSCWUVLJPJY-UHFFFAOYSA-N
XLogP8.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.83
LogP ≤ 58.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-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 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide (CID 10438192) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide is CC(C)CC1CC(C)CC(C)C1NC(=O)c1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1.
What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide?
The InChIKey is URQLSCWUVLJPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N3O2/c1-22(2)11-31-13-23(3)12-24(4)35(31)41-36(42)29-7-10-33-30(17-29)18-34(40-33)28-5-8-32(9-6-28)39-37(43)38-19-25-14-26(20-38)16-27(15-25)21-38/h5-10,17-18,22-27,31,35,40H,11-16,19-21H2,1-4H3,(H,39,43)(H,41,42).
What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide?
2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide has a molecular weight of 579.83 g/mol, XLogP of 8.82, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-[2,4-dimethyl-6-(2-methylpropyl)cyclohexyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 10438192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).