N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide

C16H21NO2 — CID 94272868

IUPACN-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
SMILESCc1ccc(C(=O)CCCC(=O)NC2CC2)cc1C
InChIInChI=1S/C16H21NO2/c1-11-6-7-13(10-12(11)2)15(18)4-3-5-16(19)17-14-8-9-14/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyFDKRIOFFEQKBFD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds6

About N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide

N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide (PubChem CID 94272868) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
PubChem CID94272868
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
SMILESCc1ccc(C(=O)CCCC(=O)NC2CC2)cc1C
InChIInChI=1S/C16H21NO2/c1-11-6-7-13(10-12(11)2)15(18)4-3-5-16(19)17-14-8-9-14/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyFDKRIOFFEQKBFD-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide 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

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128500
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128602
N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
CID 82113873
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
CID 34262952
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110423518
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066104
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide?
The IUPAC name of N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide (CID 94272868) is N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide.
What is the SMILES notation for N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide?
The canonical SMILES for N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide is Cc1ccc(C(=O)CCCC(=O)NC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide?
The InChIKey is FDKRIOFFEQKBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-6-7-13(10-12(11)2)15(18)4-3-5-16(19)17-14-8-9-14/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide?
N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide is sourced from PubChem (CID 94272868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).