methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate

C19H20N2O4 — CID 17439157

IUPACmethyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CNC(C)=O)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-12-4-7-16(19(24)25-3)10-17(12)21-18(23)15-8-5-14(6-9-15)11-20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHFWFOILPIWZICR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.67
Rot. Bonds5

About methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate

methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate (PubChem CID 17439157) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
PubChem CID17439157
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CNC(C)=O)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-12-4-7-16(19(24)25-3)10-17(12)21-18(23)15-8-5-14(6-9-15)11-20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHFWFOILPIWZICR-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate (CID 17439157) is methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(CNC(C)=O)cc2)c1.
What is the InChIKey of methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate?
The InChIKey is HFWFOILPIWZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-4-7-16(19(24)25-3)10-17(12)21-18(23)15-8-5-14(6-9-15)11-20-13(2)22/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate?
methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 17439157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).