methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate

C12H16N2O4 — CID 47129052

IUPACmethyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C12H16N2O4/c1-14(12(16)18-3)8-11(15)13-9-5-4-6-10(7-9)17-2/h4-7H,8H2,1-3H3,(H,13,15)
InChIKeyVPGMUBYRPRHYLO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.33
Rot. Bonds4

About methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate

methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 47129052) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
PubChem CID47129052
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C12H16N2O4/c1-14(12(16)18-3)8-11(15)13-9-5-4-6-10(7-9)17-2/h4-7H,8H2,1-3H3,(H,13,15)
InChIKeyVPGMUBYRPRHYLO-UHFFFAOYSA-N
XLogP1.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 28894649

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate (CID 47129052) is methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate is COC(=O)N(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is VPGMUBYRPRHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(12(16)18-3)8-11(15)13-9-5-4-6-10(7-9)17-2/h4-7H,8H2,1-3H3,(H,13,15).
What are the key properties of methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate?
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 252.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 47129052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).