2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide

C15H21NO — CID 134863281

IUPAC2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide
SMILESCc1ccc([C@@H]2CC2NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-10-5-7-11(8-6-10)12-9-13(12)16-14(17)15(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,16,17)/t12-,13?/m0/s1
InChIKeyUERXRTPPUISRFS-UEWDXFNNSA-N
MW231.34 g/mol
LogP3.01
Rot. Bonds2

About 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide

2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide (PubChem CID 134863281) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide
PubChem CID134863281
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide
SMILESCc1ccc([C@@H]2CC2NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-10-5-7-11(8-6-10)12-9-13(12)16-14(17)15(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,16,17)/t12-,13?/m0/s1
InChIKeyUERXRTPPUISRFS-UEWDXFNNSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide 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-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
[(2R)-2-(4-methylphenyl)cyclopropyl]hydrazine
CID 126540061
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide
CID 114290562
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide (CID 134863281) is 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide is Cc1ccc([C@@H]2CC2NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide?
The InChIKey is UERXRTPPUISRFS-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-5-7-11(8-6-10)12-9-13(12)16-14(17)15(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,16,17)/t12-,13?/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide?
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide has a molecular weight of 231.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide is sourced from PubChem (CID 134863281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).