4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide

C14H16N2O2 — CID 8885141

IUPAC4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C14H16N2O2/c15-13(17)10-6-8-12(9-7-10)16-14(18)11-4-2-1-3-5-11/h1-2,6-9,11H,3-5H2,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyWAAWNDGGFOERAC-LLVKDONJSA-N
MW244.29 g/mol
LogP2.08
Rot. Bonds3

About 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide

4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide (PubChem CID 8885141) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
PubChem CID8885141
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C14H16N2O2/c15-13(17)10-6-8-12(9-7-10)16-14(18)11-4-2-1-3-5-11/h1-2,6-9,11H,3-5H2,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyWAAWNDGGFOERAC-LLVKDONJSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide?
The IUPAC name of 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide (CID 8885141) is 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide.
What is the SMILES notation for 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide?
The canonical SMILES for 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide is NC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1.
What is the InChIKey of 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide?
The InChIKey is WAAWNDGGFOERAC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-13(17)10-6-8-12(9-7-10)16-14(18)11-4-2-1-3-5-11/h1-2,6-9,11H,3-5H2,(H2,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide?
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide is sourced from PubChem (CID 8885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).