methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate

C17H17NO3 — CID 6466904

IUPACmethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H17NO3/c1-12-4-3-5-13(10-12)11-16(19)18-15-8-6-14(7-9-15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyCWNJONXPAKEKMW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds4

About methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate

methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate (PubChem CID 6466904) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
PubChem CID6466904
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H17NO3/c1-12-4-3-5-13(10-12)11-16(19)18-15-8-6-14(7-9-15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyCWNJONXPAKEKMW-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049498
ethyl 4-[[2-[[2-(3-methylphenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000793
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate
CID 112988583
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate (CID 6466904) is methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
The InChIKey is CWNJONXPAKEKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-4-3-5-13(10-12)11-16(19)18-15-8-6-14(7-9-15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate?
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate has a molecular weight of 283.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 6466904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).