methyl 2-(3-benzamido-2-methylanilino)acetate

C17H18N2O3 — CID 47064255

IUPACmethyl 2-(3-benzamido-2-methylanilino)acetate
SMILESCOC(=O)CNc1cccc(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C17H18N2O3/c1-12-14(18-11-16(20)22-2)9-6-10-15(12)19-17(21)13-7-4-3-5-8-13/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeyFCQUSACOAXHVRP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-(3-benzamido-2-methylanilino)acetate

methyl 2-(3-benzamido-2-methylanilino)acetate (PubChem CID 47064255) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-(3-benzamido-2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-benzamido-2-methylanilino)acetate
PubChem CID47064255
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-(3-benzamido-2-methylanilino)acetate
SMILESCOC(=O)CNc1cccc(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C17H18N2O3/c1-12-14(18-11-16(20)22-2)9-6-10-15(12)19-17(21)13-7-4-3-5-8-13/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeyFCQUSACOAXHVRP-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 60539008
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 78895527
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
CID 119740914
methyl 2-(2-phenylanilino)acetate
CID 28569437
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899034
N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624537

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzamido-2-methylanilino)acetate?
The IUPAC name of methyl 2-(3-benzamido-2-methylanilino)acetate (CID 47064255) is methyl 2-(3-benzamido-2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(3-benzamido-2-methylanilino)acetate?
The canonical SMILES for methyl 2-(3-benzamido-2-methylanilino)acetate is COC(=O)CNc1cccc(NC(=O)c2ccccc2)c1C.
What is the InChIKey of methyl 2-(3-benzamido-2-methylanilino)acetate?
The InChIKey is FCQUSACOAXHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-14(18-11-16(20)22-2)9-6-10-15(12)19-17(21)13-7-4-3-5-8-13/h3-10,18H,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-(3-benzamido-2-methylanilino)acetate?
methyl 2-(3-benzamido-2-methylanilino)acetate has a molecular weight of 298.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzamido-2-methylanilino)acetate is sourced from PubChem (CID 47064255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).