4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide

C16H21NO — CID 163837102

IUPAC4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2=CCC(C)C2)c1
InChIInChI=1S/C16H21NO/c1-12-4-3-5-14(10-12)8-9-17-16(18)15-7-6-13(2)11-15/h3-5,7,10,13H,6,8-9,11H2,1-2H3,(H,17,18)
InChIKeyOIRZBWFSOASBJU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide

4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide (PubChem CID 163837102) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide
PubChem CID163837102
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2=CCC(C)C2)c1
InChIInChI=1S/C16H21NO/c1-12-4-3-5-14(10-12)8-9-17-16(18)15-7-6-13(2)11-15/h3-5,7,10,13H,6,8-9,11H2,1-2H3,(H,17,18)
InChIKeyOIRZBWFSOASBJU-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
1-(aminomethyl)-4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442067
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
CID 62313165
1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
CID 58526853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide (CID 163837102) is 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide is Cc1cccc(CCNC(=O)C2=CCC(C)C2)c1.
What is the InChIKey of 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide?
The InChIKey is OIRZBWFSOASBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-4-3-5-14(10-12)8-9-17-16(18)15-7-6-13(2)11-15/h3-5,7,10,13H,6,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide?
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 163837102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).