N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide

C17H23NO — CID 177026780

IUPACN-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCCCC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H23NO/c1-12(2)15-6-4-5-7-16(15)17(19)18-14-10-8-13(3)9-11-14/h8-11,15-16H,1,4-7H2,2-3H3,(H,18,19)
InChIKeyJEAFRIJQLNYNGY-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.32
Rot. Bonds3

About N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide

N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 177026780) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID177026780
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCCCC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H23NO/c1-12(2)15-6-4-5-7-16(15)17(19)18-14-10-8-13(3)9-11-14/h8-11,15-16H,1,4-7H2,2-3H3,(H,18,19)
InChIKeyJEAFRIJQLNYNGY-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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

2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 4990951
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 20735464
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
trans-(1S,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 26257020
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 177026780) is N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)C1CCCCC1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is JEAFRIJQLNYNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)15-6-4-5-7-16(15)17(19)18-14-10-8-13(3)9-11-14/h8-11,15-16H,1,4-7H2,2-3H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 177026780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).