1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide

C25H24N2O2 — CID 51271981

IUPAC1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21
InChIInChI=1S/C25H24N2O2/c1-19(28)27-15-14-22-16-23(12-13-24(22)27)25(29)26(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-13,16H,14-15,17-18H2,1H3
InChIKeyZLSQONOSGBQJGN-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.44
Rot. Bonds5

About 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide

1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide (PubChem CID 51271981) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
PubChem CID51271981
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21
InChIInChI=1S/C25H24N2O2/c1-19(28)27-15-14-22-16-23(12-13-24(22)27)25(29)26(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-13,16H,14-15,17-18H2,1H3
InChIKeyZLSQONOSGBQJGN-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193599
2-acetyl-N-benzyl-N-(2-hydroxyethyl)-10-(2-methylpropyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110070591
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
CID 46276880
N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
1-acetyl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 38262055

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide (CID 51271981) is 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21.
What is the InChIKey of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZLSQONOSGBQJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-19(28)27-15-14-22-16-23(12-13-24(22)27)25(29)26(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-13,16H,14-15,17-18H2,1H3.
What are the key properties of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide?
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51271981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).