2-[(1-benzylindole-3-carbonyl)amino]propanediamide

C19H18N4O3 — CID 31404077

IUPAC2-[(1-benzylindole-3-carbonyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C19H18N4O3/c20-17(24)16(18(21)25)22-19(26)14-11-23(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11,16H,10H2,(H2,20,24)(H2,21,25)(H,22,26)
InChIKeyLNSFYTPXTITANT-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.76
Rot. Bonds6

About 2-[(1-benzylindole-3-carbonyl)amino]propanediamide

2-[(1-benzylindole-3-carbonyl)amino]propanediamide (PubChem CID 31404077) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(1-benzylindole-3-carbonyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(1-benzylindole-3-carbonyl)amino]propanediamide
PubChem CID31404077
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[(1-benzylindole-3-carbonyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O
InChIInChI=1S/C19H18N4O3/c20-17(24)16(18(21)25)22-19(26)14-11-23(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11,16H,10H2,(H2,20,24)(H2,21,25)(H,22,26)
InChIKeyLNSFYTPXTITANT-UHFFFAOYSA-N
XLogP0.76
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxamide
CID 97329350
1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
CID 24625616
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylindole-3-carbonyl)amino]propanediamide?
The IUPAC name of 2-[(1-benzylindole-3-carbonyl)amino]propanediamide (CID 31404077) is 2-[(1-benzylindole-3-carbonyl)amino]propanediamide.
What is the SMILES notation for 2-[(1-benzylindole-3-carbonyl)amino]propanediamide?
The canonical SMILES for 2-[(1-benzylindole-3-carbonyl)amino]propanediamide is NC(=O)C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(N)=O.
What is the InChIKey of 2-[(1-benzylindole-3-carbonyl)amino]propanediamide?
The InChIKey is LNSFYTPXTITANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-17(24)16(18(21)25)22-19(26)14-11-23(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11,16H,10H2,(H2,20,24)(H2,21,25)(H,22,26).
What are the key properties of 2-[(1-benzylindole-3-carbonyl)amino]propanediamide?
2-[(1-benzylindole-3-carbonyl)amino]propanediamide has a molecular weight of 350.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylindole-3-carbonyl)amino]propanediamide is sourced from PubChem (CID 31404077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).