2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide

C16H23NO — CID 123790162

IUPAC2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CC2CCCC2)cc1C
InChIInChI=1S/C16H23NO/c1-12-8-9-15(10-13(12)2)17(3)16(18)11-14-6-4-5-7-14/h8-10,14H,4-7,11H2,1-3H3
InChIKeyBBUVMWFIKYPSGQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.85
Rot. Bonds3

About 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide

2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 123790162) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID123790162
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CC2CCCC2)cc1C
InChIInChI=1S/C16H23NO/c1-12-8-9-15(10-13(12)2)17(3)16(18)11-14-6-4-5-7-14/h8-10,14H,4-7,11H2,1-3H3
InChIKeyBBUVMWFIKYPSGQ-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
CID 60575142
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
CID 62971153
N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62971169
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
N-(3,4-dimethylphenyl)-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119741824
2-cyclohexyl-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 76932669
ethyl 3-oxo-3-(N,3,4-trimethylanilino)propanoate
CID 115138487

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide (CID 123790162) is 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(N(C)C(=O)CC2CCCC2)cc1C.
What is the InChIKey of 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is BBUVMWFIKYPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-8-9-15(10-13(12)2)17(3)16(18)11-14-6-4-5-7-14/h8-10,14H,4-7,11H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide?
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 245.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 123790162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).