N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide

C20H30N2O2 — CID 158644393

IUPACN-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
SMILESC=CC1=C(NC2CCC(C(=O)NC3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C20H30N2O2/c1-2-17-18(12-13-19(17)23)21-16-10-8-14(9-11-16)20(24)22-15-6-4-3-5-7-15/h2,14-16,21H,1,3-13H2,(H,22,24)
InChIKeyIATZQTNSFKRNAW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.39
Rot. Bonds5

About N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide

N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide (PubChem CID 158644393) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
PubChem CID158644393
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
SMILESC=CC1=C(NC2CCC(C(=O)NC3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C20H30N2O2/c1-2-17-18(12-13-19(17)23)21-16-10-8-14(9-11-16)20(24)22-15-6-4-3-5-7-15/h2,14-16,21H,1,3-13H2,(H,22,24)
InChIKeyIATZQTNSFKRNAW-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 132344928
N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 121470823
N-methyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 121470826
3-amino-N-[4-[2-oxo-2-(6-oxo-1H-pyridin-3-yl)ethyl]cyclohexyl]propanamide
CID 148076285
N-(4-amino-5-oxo-6,7,8,8a-tetrahydro-1H-naphthalen-1-yl)acetamide
CID 175176723
N-(4-carbamoylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60725369
4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide
CID 81108809
4-[(3-Oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 104788326
2-[(1S,2R)-2-aminocyclopentyl]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 121780489

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide (CID 158644393) is N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide is C=CC1=C(NC2CCC(C(=O)NC3CCCCC3)CC2)CCC1=O.
What is the InChIKey of N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is IATZQTNSFKRNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-17-18(12-13-19(17)23)21-16-10-8-14(9-11-16)20(24)22-15-6-4-3-5-7-15/h2,14-16,21H,1,3-13H2,(H,22,24).
What are the key properties of N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 158644393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).