N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide

C18H25NO — CID 92682179

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H25NO/c1-14-8-9-15(2)17(12-14)13-18(20)19-11-10-16-6-4-3-5-7-16/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,19,20)
InChIKeyAAKIUCIMERQGKB-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.85
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 92682179) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID92682179
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H25NO/c1-14-8-9-15(2)17(12-14)13-18(20)19-11-10-16-6-4-3-5-7-16/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,19,20)
InChIKeyAAKIUCIMERQGKB-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519612
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 55392642
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973432
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide (CID 92682179) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is AAKIUCIMERQGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14-8-9-15(2)17(12-14)13-18(20)19-11-10-16-6-4-3-5-7-16/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 271.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 92682179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).