(4-methoxycarbonylphenyl) 4-acetamidobenzoate

C17H15NO5 — CID 7761360

IUPAC(4-methoxycarbonylphenyl) 4-acetamidobenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H15NO5/c1-11(19)18-14-7-3-13(4-8-14)17(21)23-15-9-5-12(6-10-15)16(20)22-2/h3-10H,1-2H3,(H,18,19)
InChIKeyKAMLZNMOCJPOKK-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.65
Rot. Bonds4

About (4-methoxycarbonylphenyl) 4-acetamidobenzoate

(4-methoxycarbonylphenyl) 4-acetamidobenzoate (PubChem CID 7761360) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 4-acetamidobenzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 4-acetamidobenzoate
PubChem CID7761360
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(4-methoxycarbonylphenyl) 4-acetamidobenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H15NO5/c1-11(19)18-14-7-3-13(4-8-14)17(21)23-15-9-5-12(6-10-15)16(20)22-2/h3-10H,1-2H3,(H,18,19)
InChIKeyKAMLZNMOCJPOKK-UHFFFAOYSA-N
XLogP2.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.65
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

(4-acetamidophenyl) 4-iodobenzoate
CID 51152655
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
(3,4-dimethylphenyl) 4-acetamidobenzoate
CID 4010192
[4-(4-acetamidophenoxy)carbonylphenyl]-(diaminomethylidene)azanium chloride
CID 135481885
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
methyl 4-methoxycarbonyloxybenzoate
CID 584598
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 4-acetamidobenzoate?
The IUPAC name of (4-methoxycarbonylphenyl) 4-acetamidobenzoate (CID 7761360) is (4-methoxycarbonylphenyl) 4-acetamidobenzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 4-acetamidobenzoate?
The canonical SMILES for (4-methoxycarbonylphenyl) 4-acetamidobenzoate is COC(=O)c1ccc(OC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 4-acetamidobenzoate?
The InChIKey is KAMLZNMOCJPOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-11(19)18-14-7-3-13(4-8-14)17(21)23-15-9-5-12(6-10-15)16(20)22-2/h3-10H,1-2H3,(H,18,19).
What are the key properties of (4-methoxycarbonylphenyl) 4-acetamidobenzoate?
(4-methoxycarbonylphenyl) 4-acetamidobenzoate has a molecular weight of 313.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 4-acetamidobenzoate is sourced from PubChem (CID 7761360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).