methyl 2-[2-(N-methylanilino)anilino]acetate

C16H18N2O2 — CID 47313605

IUPACmethyl 2-[2-(N-methylanilino)anilino]acetate
SMILESCOC(=O)CNc1ccccc1N(C)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)17-12-16(19)20-2/h3-11,17H,12H2,1-2H3
InChIKeyPOXZXJXSADXISU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds5

About methyl 2-[2-(N-methylanilino)anilino]acetate

methyl 2-[2-(N-methylanilino)anilino]acetate (PubChem CID 47313605) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[2-(N-methylanilino)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(N-methylanilino)anilino]acetate
PubChem CID47313605
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-[2-(N-methylanilino)anilino]acetate
SMILESCOC(=O)CNc1ccccc1N(C)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)17-12-16(19)20-2/h3-11,17H,12H2,1-2H3
InChIKeyPOXZXJXSADXISU-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(N-methylanilino)anilino]acetate 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-(2-phenylanilino)acetate
CID 28569437
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 47064157
N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
CID 51117326
2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
CID 82539674
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide
CID 55726221
2-[2-[cyclopentyl(methyl)amino]anilino]-N-methyl-N-phenylacetamide
CID 71849650
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
CID 82887111
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(N-methylanilino)anilino]acetate?
The IUPAC name of methyl 2-[2-(N-methylanilino)anilino]acetate (CID 47313605) is methyl 2-[2-(N-methylanilino)anilino]acetate.
What is the SMILES notation for methyl 2-[2-(N-methylanilino)anilino]acetate?
The canonical SMILES for methyl 2-[2-(N-methylanilino)anilino]acetate is COC(=O)CNc1ccccc1N(C)c1ccccc1.
What is the InChIKey of methyl 2-[2-(N-methylanilino)anilino]acetate?
The InChIKey is POXZXJXSADXISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)17-12-16(19)20-2/h3-11,17H,12H2,1-2H3.
What are the key properties of methyl 2-[2-(N-methylanilino)anilino]acetate?
methyl 2-[2-(N-methylanilino)anilino]acetate has a molecular weight of 270.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(N-methylanilino)anilino]acetate is sourced from PubChem (CID 47313605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).