N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide

C25H23N3O2 — CID 83289883

IUPACN-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C25H23N3O2/c29-24(14-11-18-7-3-1-4-8-18)27-21-12-13-22-20(15-21)16-23(28-22)25(30)26-17-19-9-5-2-6-10-19/h1-10,12-13,15-16,28H,11,14,17H2,(H,26,30)(H,27,29)
InChIKeyJWDKSJJNIQCKKQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.67
Rot. Bonds7

About N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide

N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide (PubChem CID 83289883) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
PubChem CID83289883
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C25H23N3O2/c29-24(14-11-18-7-3-1-4-8-18)27-21-12-13-22-20(15-21)16-23(28-22)25(30)26-17-19-9-5-2-6-10-19/h1-10,12-13,15-16,28H,11,14,17H2,(H,26,30)(H,27,29)
InChIKeyJWDKSJJNIQCKKQ-UHFFFAOYSA-N
XLogP4.67
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-benzyl-5-(3-phenylpropanoylamino)-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

N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83280451
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide (CID 83289883) is N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide is O=C(CCc1ccccc1)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
The InChIKey is JWDKSJJNIQCKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-24(14-11-18-7-3-1-4-8-18)27-21-12-13-22-20(15-21)16-23(28-22)25(30)26-17-19-9-5-2-6-10-19/h1-10,12-13,15-16,28H,11,14,17H2,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide?
N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 83289883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).