N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide

C20H24N2O2 — CID 171577227

IUPACN-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC=CCC2)cc1)C1CC=CCC1
InChIInChI=1S/C20H24N2O2/c23-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-20(24)16-9-5-2-6-10-16/h1-3,5,11-16H,4,6-10H2,(H,21,23)(H,22,24)
InChIKeyQOOILNMOFOLAAU-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.28
Rot. Bonds4

About N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 171577227) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID171577227
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC=CCC2)cc1)C1CC=CCC1
InChIInChI=1S/C20H24N2O2/c23-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-20(24)16-9-5-2-6-10-16/h1-3,5,11-16H,4,6-10H2,(H,21,23)(H,22,24)
InChIKeyQOOILNMOFOLAAU-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.28
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-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
(E)-3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]prop-2-enoic acid
CID 45387395
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80549745

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide (CID 171577227) is N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(NC(=O)C2CC=CCC2)cc1)C1CC=CCC1.
What is the InChIKey of N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QOOILNMOFOLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)22-20(24)16-9-5-2-6-10-16/h1-3,5,11-16H,4,6-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide?
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 171577227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).