methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate

C12H16N2O3 — CID 78916667

IUPACmethyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
SMILESCCN(C)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C12H16N2O3/c1-4-14(2)12(16)13-10-8-6-5-7-9(10)11(15)17-3/h5-8H,4H2,1-3H3,(H,13,16)
InChIKeyQHTOANRIXOUXJJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.96
Rot. Bonds3

About methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate

methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate (PubChem CID 78916667) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
PubChem CID78916667
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
SMILESCCN(C)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C12H16N2O3/c1-4-14(2)12(16)13-10-8-6-5-7-9(10)11(15)17-3/h5-8H,4H2,1-3H3,(H,13,16)
InChIKeyQHTOANRIXOUXJJ-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 108990838
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]benzoate
CID 94499210
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512391
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate?
The IUPAC name of methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate (CID 78916667) is methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate is CCN(C)C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate?
The InChIKey is QHTOANRIXOUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-14(2)12(16)13-10-8-6-5-7-9(10)11(15)17-3/h5-8H,4H2,1-3H3,(H,13,16).
What are the key properties of methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate?
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate has a molecular weight of 236.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 78916667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).