N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide

C13H16N2O3 — CID 135169083

IUPACN-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CC(=O)N2C)cc1
InChIInChI=1S/C13H16N2O3/c1-14(9-4-6-10(18-3)7-5-9)13(17)11-8-12(16)15(11)2/h4-7,11H,8H2,1-3H3
InChIKeyUMVRENCDNCOYFV-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.89
Rot. Bonds3

About N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide

N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide (PubChem CID 135169083) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide
PubChem CID135169083
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CC(=O)N2C)cc1
InChIInChI=1S/C13H16N2O3/c1-14(9-4-6-10(18-3)7-5-9)13(17)11-8-12(16)15(11)2/h4-7,11H,8H2,1-3H3
InChIKeyUMVRENCDNCOYFV-UHFFFAOYSA-N
XLogP0.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide (CID 135169083) is N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide is COc1ccc(N(C)C(=O)C2CC(=O)N2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide?
The InChIKey is UMVRENCDNCOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14(9-4-6-10(18-3)7-5-9)13(17)11-8-12(16)15(11)2/h4-7,11H,8H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide?
N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 135169083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).