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

C14H24N2O2 — CID 58186222

IUPACN-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NC1(CC)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-4-14(8-6-5-7-9-14)16-12(17)10-15-13(18)11(2)3/h2,4-10H2,1,3H3,(H,15,18)(H,16,17)
InChIKeyOHKUFMCZNDJLBU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds5

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

N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide (PubChem CID 58186222) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
PubChem CID58186222
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NC1(CC)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-4-14(8-6-5-7-9-14)16-12(17)10-15-13(18)11(2)3/h2,4-10H2,1,3H3,(H,15,18)(H,16,17)
InChIKeyOHKUFMCZNDJLBU-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.91
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]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide (CID 58186222) is N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(=O)NC1(CC)CCCCC1.
What is the InChIKey of N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The InChIKey is OHKUFMCZNDJLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-14(8-6-5-7-9-14)16-12(17)10-15-13(18)11(2)3/h2,4-10H2,1,3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]-2-methylprop-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.91, 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]-2-methylprop-2-enamide is sourced from PubChem (CID 58186222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).