methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate

C18H17NO5 — CID 9349702

IUPACmethyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C18H17NO5/c1-11-4-5-14(18(22)23-3)10-16(11)19-17(21)13-6-8-15(9-7-13)24-12(2)20/h4-10H,1-3H3,(H,19,21)
InChIKeyHHLVIPGCVVGXDD-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.96
Rot. Bonds4

About methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate

methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate (PubChem CID 9349702) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
PubChem CID9349702
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namemethyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C18H17NO5/c1-11-4-5-14(18(22)23-3)10-16(11)19-17(21)13-6-8-15(9-7-13)24-12(2)20/h4-10H,1-3H3,(H,19,21)
InChIKeyHHLVIPGCVVGXDD-UHFFFAOYSA-N
XLogP2.96
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
CID 17439157
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
[4-[[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]carbamoyl]phenyl] acetate
CID 22291103
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 3-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-4-methylbenzoate
CID 92664160
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate (CID 9349702) is methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC(C)=O)cc2)c1.
What is the InChIKey of methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate?
The InChIKey is HHLVIPGCVVGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11-4-5-14(18(22)23-3)10-16(11)19-17(21)13-6-8-15(9-7-13)24-12(2)20/h4-10H,1-3H3,(H,19,21).
What are the key properties of methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate?
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate has a molecular weight of 327.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate is sourced from PubChem (CID 9349702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).