2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone

C17H25NO — CID 60649749

IUPAC2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(C)c(C)c1)CC1CC1
InChIInChI=1S/C17H25NO/c1-4-9-18(11-15-6-7-15)12-17(19)16-8-5-13(2)14(3)10-16/h5,8,10,15H,4,6-7,9,11-12H2,1-3H3
InChIKeyWWKVOLQGSTUQPW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone

2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone (PubChem CID 60649749) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
PubChem CID60649749
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(C)c(C)c1)CC1CC1
InChIInChI=1S/C17H25NO/c1-4-9-18(11-15-6-7-15)12-17(19)16-8-5-13(2)14(3)10-16/h5,8,10,15H,4,6-7,9,11-12H2,1-3H3
InChIKeyWWKVOLQGSTUQPW-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone 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

2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750
1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
CID 60679704
2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 60679615
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
2-[cyclopropylmethyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60649803
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051566
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 61451944
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[cyclopropylmethyl(propyl)amino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 86910911
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 86824505

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone (CID 60649749) is 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone is CCCN(CC(=O)c1ccc(C)c(C)c1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is WWKVOLQGSTUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-9-18(11-15-6-7-15)12-17(19)16-8-5-13(2)14(3)10-16/h5,8,10,15H,4,6-7,9,11-12H2,1-3H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone?
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 60649749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).