1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one

C27H28N2O2 — CID 84563577

IUPAC1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C27H28N2O2/c1-19(30)21-9-12-26-22(17-21)13-16-29(26)27(31)14-15-28(24-10-11-24)18-23-7-4-6-20-5-2-3-8-25(20)23/h2-9,12,17,24H,10-11,13-16,18H2,1H3
InChIKeyGQDYWXRHGDUEGO-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.99
Rot. Bonds7

About 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one

1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one (PubChem CID 84563577) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one
PubChem CID84563577
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C27H28N2O2/c1-19(30)21-9-12-26-22(17-21)13-16-29(26)27(31)14-15-28(24-10-11-24)18-23-7-4-6-20-5-2-3-8-25(20)23/h2-9,12,17,24H,10-11,13-16,18H2,1H3
InChIKeyGQDYWXRHGDUEGO-UHFFFAOYSA-N
XLogP4.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one 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-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
CID 84568655
1-(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110737728
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543965
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145428
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one (CID 84563577) is 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one is CC(=O)c1ccc2c(c1)CCN2C(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one?
The InChIKey is GQDYWXRHGDUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19(30)21-9-12-26-22(17-21)13-16-29(26)27(31)14-15-28(24-10-11-24)18-23-7-4-6-20-5-2-3-8-25(20)23/h2-9,12,17,24H,10-11,13-16,18H2,1H3.
What are the key properties of 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one?
1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one has a molecular weight of 412.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 84563577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).