2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide

C13H22N2O2 — CID 58186006

IUPAC2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NC1(C)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-10(2)12(17)14-9-11(16)15-13(3)7-5-4-6-8-13/h1,4-9H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyFZHVOLWDJQSCAM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds4

About 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide

2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide (PubChem CID 58186006) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
PubChem CID58186006
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NC1(C)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-10(2)12(17)14-9-11(16)15-13(3)7-5-4-6-8-13/h1,4-9H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyFZHVOLWDJQSCAM-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
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 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide (CID 58186006) is 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide is C=C(C)C(=O)NCC(=O)NC1(C)CCCCC1.
What is the InChIKey of 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is FZHVOLWDJQSCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)12(17)14-9-11(16)15-13(3)7-5-4-6-8-13/h1,4-9H2,2-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 58186006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).