2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C17H23NO — CID 24534677

IUPAC2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccccc2C)C1(C)C
InChIInChI=1S/C17H23NO/c1-11(2)10-13-15(17(13,4)5)16(19)18-14-9-7-6-8-12(14)3/h6-10,13,15H,1-5H3,(H,18,19)
InChIKeyNCXJEAHQSLELAL-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.17
Rot. Bonds3

About 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 24534677) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID24534677
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccccc2C)C1(C)C
InChIInChI=1S/C17H23NO/c1-11(2)10-13-15(17(13,4)5)16(19)18-14-9-7-6-8-12(14)3/h6-10,13,15H,1-5H3,(H,18,19)
InChIKeyNCXJEAHQSLELAL-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide 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-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42923994
cis-(1R,3R)-N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 27146525
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
cis-(1R,3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52526871
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51134313
N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24681735
N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 677652
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629288
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629287
trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52525045
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 24534677) is 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2ccccc2C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is NCXJEAHQSLELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11(2)10-13-15(17(13,4)5)16(19)18-14-9-7-6-8-12(14)3/h6-10,13,15H,1-5H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24534677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).