N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide

C17H17N3O — CID 116650078

IUPACN-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccccc12)c1ccc(N)cc1
InChIInChI=1S/C17H17N3O/c1-11(12-6-8-13(18)9-7-12)20-17(21)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,18H2,1H3,(H,20,21)
InChIKeyXQZOELBIYQIYQW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide

N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 116650078) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
PubChem CID116650078
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccccc12)c1ccc(N)cc1
InChIInChI=1S/C17H17N3O/c1-11(12-6-8-13(18)9-7-12)20-17(21)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,18H2,1H3,(H,20,21)
InChIKeyXQZOELBIYQIYQW-UHFFFAOYSA-N
XLogP3.24
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607448
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
CID 169027247
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide (CID 116650078) is N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide is CC(NC(=O)c1c[nH]c2ccccc12)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is XQZOELBIYQIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11(12-6-8-13(18)9-7-12)20-17(21)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,18H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide?
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 116650078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).