N-(3-phenylpropyl)-1H-indole-2-carboxamide

C18H18N2O — CID 27647057

IUPACN-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
InChIKeyRUVMVFFYHGKXTD-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds5

About N-(3-phenylpropyl)-1H-indole-2-carboxamide

N-(3-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 27647057) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1H-indole-2-carboxamide
PubChem CID27647057
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
InChIKeyRUVMVFFYHGKXTD-UHFFFAOYSA-N
XLogP3.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-phenylpropyl)-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

Related Compounds

CID 9931954
CID 9931954
CID 33625
CID 33625
CID 77992
CID 77992
CID 443375
CID 443375
CID 65752
CID 65752
CID 132916
CID 132916
CID 14973220
CID 14973220
CID 4908365
CID 4908365
CID 4375
CID 4375
CID 38102
CID 38102
CID 99652
CID 99652
CID 9996305
CID 9996305

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1H-indole-2-carboxamide (CID 27647057) is N-(3-phenylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1H-indole-2-carboxamide is O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The InChIKey is RUVMVFFYHGKXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21).
What are the key properties of N-(3-phenylpropyl)-1H-indole-2-carboxamide?
N-(3-phenylpropyl)-1H-indole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 27647057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).