N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide

C25H38N2O3 — CID 58376154

IUPACN-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide
SMILESCOCCCCN1C(=O)C(C)(C)c2ccc(C(=O)N(C(C)C)C3CCCCC3)cc21
InChIInChI=1S/C25H38N2O3/c1-18(2)27(20-11-7-6-8-12-20)23(28)19-13-14-21-22(17-19)26(15-9-10-16-30-5)24(29)25(21,3)4/h13-14,17-18,20H,6-12,15-16H2,1-5H3
InChIKeySRQPBAKOROXTCF-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.92
Rot. Bonds8

About N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide

N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide (PubChem CID 58376154) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide
PubChem CID58376154
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC NameN-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide
SMILESCOCCCCN1C(=O)C(C)(C)c2ccc(C(=O)N(C(C)C)C3CCCCC3)cc21
InChIInChI=1S/C25H38N2O3/c1-18(2)27(20-11-7-6-8-12-20)23(28)19-13-14-21-22(17-19)26(15-9-10-16-30-5)24(29)25(21,3)4/h13-14,17-18,20H,6-12,15-16H2,1-5H3
InChIKeySRQPBAKOROXTCF-UHFFFAOYSA-N
XLogP4.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide (CID 58376154) is N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide is COCCCCN1C(=O)C(C)(C)c2ccc(C(=O)N(C(C)C)C3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
The InChIKey is SRQPBAKOROXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c1-18(2)27(20-11-7-6-8-12-20)23(28)19-13-14-21-22(17-19)26(15-9-10-16-30-5)24(29)25(21,3)4/h13-14,17-18,20H,6-12,15-16H2,1-5H3.
What are the key properties of N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide?
N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methoxybutyl)-3,3-dimethyl-2-oxo-N-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 58376154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).