N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide

C17H28N2O2 — CID 12575352

IUPACN-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-13(2)16(20)19(15-11-7-4-8-12-15)17(21)18-14-9-5-3-6-10-14/h14-15H,1,3-12H2,2H3,(H,18,21)
InChIKeyGHBAGJQMBROMJR-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.77
Rot. Bonds3

About N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide

N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide (PubChem CID 12575352) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide
PubChem CID12575352
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-13(2)16(20)19(15-11-7-4-8-12-15)17(21)18-14-9-5-3-6-10-14/h14-15H,1,3-12H2,2H3,(H,18,21)
InChIKeyGHBAGJQMBROMJR-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide?
The IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide (CID 12575352) is N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide?
The InChIKey is GHBAGJQMBROMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)16(20)19(15-11-7-4-8-12-15)17(21)18-14-9-5-3-6-10-14/h14-15H,1,3-12H2,2H3,(H,18,21).
What are the key properties of N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide?
N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide has a molecular weight of 292.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide is sourced from PubChem (CID 12575352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).