N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

C18H25ClN2O2 — CID 95294622

IUPACN-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-10-6-9-16(22)21-15-11-13(15)12-7-4-5-8-14(12)19/h4-5,7-8,13,15H,6,9-11H2,1-3H3,(H,20,23)(H,21,22)/t13-,15+/m0/s1
InChIKeyAIJZSQVEWINWIG-DZGCQCFKSA-N
MW336.86 g/mol
LogP3.25
Rot. Bonds6

About N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 95294622) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID95294622
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-10-6-9-16(22)21-15-11-13(15)12-7-4-5-8-14(12)19/h4-5,7-8,13,15H,6,9-11H2,1-3H3,(H,20,23)(H,21,22)/t13-,15+/m0/s1
InChIKeyAIJZSQVEWINWIG-DZGCQCFKSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide 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-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
CID 97014434
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359291
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057
tert-butyl N-[3-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331056
3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 95294622) is N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is AIJZSQVEWINWIG-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-10-6-9-16(22)21-15-11-13(15)12-7-4-5-8-14(12)19/h4-5,7-8,13,15H,6,9-11H2,1-3H3,(H,20,23)(H,21,22)/t13-,15+/m0/s1.
What are the key properties of N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 336.86 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95294622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).