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

C19H30N2O2 — CID 121470823

IUPACN-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
SMILESCC1=C(NC2CCC(C(=O)NC3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C19H30N2O2/c1-13-17(11-12-18(13)22)20-16-9-7-14(8-10-16)19(23)21-15-5-3-2-4-6-15/h14-16,20H,2-12H2,1H3,(H,21,23)
InChIKeyWQNARFFWZRIPAS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.22
Rot. Bonds4

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

N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide (PubChem CID 121470823) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
PubChem CID121470823
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
SMILESCC1=C(NC2CCC(C(=O)NC3CCCCC3)CC2)CCC1=O
InChIInChI=1S/C19H30N2O2/c1-13-17(11-12-18(13)22)20-16-9-7-14(8-10-16)19(23)21-15-5-3-2-4-6-15/h14-16,20H,2-12H2,1H3,(H,21,23)
InChIKeyWQNARFFWZRIPAS-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 46904162
8-Amino-2-(2-methyl-3-oxocyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234323
N-methyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 121470826
N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 158644393
N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide
CID 78324057
N-(4-carbamoylcyclohexyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717965
4-[(3-Oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 104788326

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide (CID 121470823) is N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide is CC1=C(NC2CCC(C(=O)NC3CCCCC3)CC2)CCC1=O.
What is the InChIKey of N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is WQNARFFWZRIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-17(11-12-18(13)22)20-16-9-7-14(8-10-16)19(23)21-15-5-3-2-4-6-15/h14-16,20H,2-12H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide?
N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 121470823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).