5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide

C21H23N3O — CID 69242372

IUPAC5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NC3CCCCC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3O/c22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(24-18)21(25)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10,22H2,(H,23,25)
InChIKeyWWOVUCMZTFJQHJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.48
Rot. Bonds3

About 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide

5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide (PubChem CID 69242372) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide
PubChem CID69242372
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NC3CCCCC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3O/c22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(24-18)21(25)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10,22H2,(H,23,25)
InChIKeyWWOVUCMZTFJQHJ-UHFFFAOYSA-N
XLogP4.48
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide (CID 69242372) is 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NC3CCCCC3)c(-c3ccccc3)c2c1.
What is the InChIKey of 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is WWOVUCMZTFJQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(24-18)21(25)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10,22H2,(H,23,25).
What are the key properties of 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide?
5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 69242372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).