methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate

C18H19NO3 — CID 18189793

IUPACmethyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C18H19NO3/c1-13-5-3-4-6-16(13)11-17(20)19-12-14-7-9-15(10-8-14)18(21)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyJLQIDAAQMOIBOM-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.64
Rot. Bonds5

About methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate

methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate (PubChem CID 18189793) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
PubChem CID18189793
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C18H19NO3/c1-13-5-3-4-6-16(13)11-17(20)19-12-14-7-9-15(10-8-14)18(21)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyJLQIDAAQMOIBOM-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[[2-(2-methylphenyl)acetyl]amino]ethyl]benzoate
CID 36776245
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964210
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
methyl 4-[[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]methyl]benzoate
CID 46559699
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
methyl 3-[(2-methoxybenzoyl)amino]-5-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 42366604

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate (CID 18189793) is methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)Cc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
The InChIKey is JLQIDAAQMOIBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-5-3-4-6-16(13)11-17(20)19-12-14-7-9-15(10-8-14)18(21)22-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate has a molecular weight of 297.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 18189793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).