methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate

C11H14N2O3 — CID 112996068

IUPACmethyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1ccccc1C
InChIInChI=1S/C11H14N2O3/c1-8-5-3-4-6-9(8)13-10(14)7-12-11(15)16-2/h3-6H,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWZDAMICGPKKMHE-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.29
Rot. Bonds3

About methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate

methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate (PubChem CID 112996068) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
PubChem CID112996068
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1ccccc1C
InChIInChI=1S/C11H14N2O3/c1-8-5-3-4-6-9(8)13-10(14)7-12-11(15)16-2/h3-6H,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWZDAMICGPKKMHE-UHFFFAOYSA-N
XLogP1.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 112996058
N-[2-(hydroxyamino)-2-oxoethyl]-N'-(2-methylphenyl)butanediamide
CID 86581901
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
2-[[4-(2-methylanilino)-4-oxobutanoyl]amino]acetic acid
CID 82042572
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate (CID 112996068) is methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate is COC(=O)NCC(=O)Nc1ccccc1C.
What is the InChIKey of methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is WZDAMICGPKKMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-5-3-4-6-9(8)13-10(14)7-12-11(15)16-2/h3-6H,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 112996068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).