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

C13H22N2O2 — CID 58186335

IUPACN-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(CC)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-3-11(16)14-10-12(17)15-13(4-2)8-6-5-7-9-13/h3H,1,4-10H2,2H3,(H,14,16)(H,15,17)
InChIKeyXEPSVWZMYICDHV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds5

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

N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide (PubChem CID 58186335) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
PubChem CID58186335
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(CC)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-3-11(16)14-10-12(17)15-13(4-2)8-6-5-7-9-13/h3H,1,4-10H2,2H3,(H,14,16)(H,15,17)
InChIKeyXEPSVWZMYICDHV-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide (CID 58186335) is N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1(CC)CCCCC1.
What is the InChIKey of N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is XEPSVWZMYICDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-11(16)14-10-12(17)15-13(4-2)8-6-5-7-9-13/h3H,1,4-10H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide?
N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 58186335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).