N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide

C18H24N2O3 — CID 166410805

IUPACN-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NC1(c2ccc(OC)cc2)CCC1
InChIInChI=1S/C18H24N2O3/c1-4-17(22)20(5-2)13-16(21)19-18(11-6-12-18)14-7-9-15(23-3)10-8-14/h4,7-10H,1,5-6,11-13H2,2-3H3,(H,19,21)
InChIKeyNAQVSEAXDDSHPY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.23
Rot. Bonds7

About N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide

N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide (PubChem CID 166410805) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide
PubChem CID166410805
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)NC1(c2ccc(OC)cc2)CCC1
InChIInChI=1S/C18H24N2O3/c1-4-17(22)20(5-2)13-16(21)19-18(11-6-12-18)14-7-9-15(23-3)10-8-14/h4,7-10H,1,5-6,11-13H2,2-3H3,(H,19,21)
InChIKeyNAQVSEAXDDSHPY-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
1,1-diethyl-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215626
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
N-[1-(4-methoxyphenyl)cyclobutyl]cyclopropanecarboxamide
CID 110478167
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-(4-methoxyphenyl)cyclopentyl]acetamide
CID 71935168
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide (CID 166410805) is N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)N(CC)CC(=O)NC1(c2ccc(OC)cc2)CCC1.
What is the InChIKey of N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is NAQVSEAXDDSHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-17(22)20(5-2)13-16(21)19-18(11-6-12-18)14-7-9-15(23-3)10-8-14/h4,7-10H,1,5-6,11-13H2,2-3H3,(H,19,21).
What are the key properties of N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide?
N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166410805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).