N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide

C18H25NO — CID 780930

IUPACN-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide
SMILESC=CCC1(N(C(C)=O)c2ccccc2C)CCCCC1
InChIInChI=1S/C18H25NO/c1-4-12-18(13-8-5-9-14-18)19(16(3)20)17-11-7-6-10-15(17)2/h4,6-7,10-11H,1,5,8-9,12-14H2,2-3H3
InChIKeySXEMYFNNTVFZCZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.63
Rot. Bonds4

About N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide

N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide (PubChem CID 780930) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide
PubChem CID780930
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide
SMILESC=CCC1(N(C(C)=O)c2ccccc2C)CCCCC1
InChIInChI=1S/C18H25NO/c1-4-12-18(13-8-5-9-14-18)19(16(3)20)17-11-7-6-10-15(17)2/h4,6-7,10-11H,1,5,8-9,12-14H2,2-3H3
InChIKeySXEMYFNNTVFZCZ-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide?
The IUPAC name of N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide (CID 780930) is N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide is C=CCC1(N(C(C)=O)c2ccccc2C)CCCCC1.
What is the InChIKey of N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide?
The InChIKey is SXEMYFNNTVFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-12-18(13-8-5-9-14-18)19(16(3)20)17-11-7-6-10-15(17)2/h4,6-7,10-11H,1,5,8-9,12-14H2,2-3H3.
What are the key properties of N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide?
N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide has a molecular weight of 271.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-(1-prop-2-enylcyclohexyl)acetamide is sourced from PubChem (CID 780930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).