(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide

C19H20N2O — CID 51927414

IUPAC(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CC=CCC1
InChIInChI=1S/C19H20N2O/c22-19(15-7-3-1-4-8-15)21-18-13-11-17(12-14-18)20-16-9-5-2-6-10-16/h1-3,5-6,9-15,20H,4,7-8H2,(H,21,22)/t15-/m0/s1
InChIKeyFPJNQHGOSOHANP-HNNXBMFYSA-N
MW292.38 g/mol
LogP4.72
Rot. Bonds4

About (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 51927414) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
PubChem CID51927414
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CC=CCC1
InChIInChI=1S/C19H20N2O/c22-19(15-7-3-1-4-8-15)21-18-13-11-17(12-14-18)20-16-9-5-2-6-10-16/h1-3,5-6,9-15,20H,4,7-8H2,(H,21,22)/t15-/m0/s1
InChIKeyFPJNQHGOSOHANP-HNNXBMFYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.72
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
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
N'-phenylcyclohex-3-ene-1-carbohydrazide
CID 14323120
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80549745
(E)-3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]prop-2-enoic acid
CID 45387395
3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541217
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 56824835

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide (CID 51927414) is (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FPJNQHGOSOHANP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(15-7-3-1-4-8-15)21-18-13-11-17(12-14-18)20-16-9-5-2-6-10-16/h1-3,5-6,9-15,20H,4,7-8H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51927414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).