N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide

C16H21NO — CID 91453163

IUPACN-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(C(=O)C1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H21NO/c1-13(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKeyWZRZTHPKBGMLHY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.78
Rot. Bonds3

About N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide

N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 91453163) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID91453163
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(C(=O)C1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H21NO/c1-13(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKeyWZRZTHPKBGMLHY-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(2-phenylethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 95220593
(1R)-cyclohex-3-ene-1-carboxylic acid;cyclohex-3-ene-1-carboxylic acid;(1S)-1-phenylethanamine
CID 162157534
N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide
CID 101352604
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
2-cyclohexyloxy-N-phenyl-N-propan-2-ylacetamide
CID 86776862
tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 123747979
N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 43573246
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
CID 87037742
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54913063
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
N-(3-bromophenyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 71143845

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide (CID 91453163) is N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide is CC(C)N(C(=O)C1CC=CCC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is WZRZTHPKBGMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(2)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-5,7-8,11-14H,6,9-10H2,1-2H3.
What are the key properties of N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91453163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).