[3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate

C23H21NO4 — CID 1321983

IUPAC[3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate
SMILESCOc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C23H21NO4/c1-15-7-8-18(13-16(15)2)23(26)28-21-6-4-5-19(14-21)24-22(25)17-9-11-20(27-3)12-10-17/h4-14H,1-3H3,(H,24,25)
InChIKeyYENUGHBNAPDZGC-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.78
Rot. Bonds5

About [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate

[3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate (PubChem CID 1321983) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate
PubChem CID1321983
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate
SMILESCOc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C23H21NO4/c1-15-7-8-18(13-16(15)2)23(26)28-21-6-4-5-19(14-21)24-22(25)17-9-11-20(27-3)12-10-17/h4-14H,1-3H3,(H,24,25)
InChIKeyYENUGHBNAPDZGC-UHFFFAOYSA-N
XLogP4.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate?
The IUPAC name of [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate (CID 1321983) is [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate?
The canonical SMILES for [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate is COc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate?
The InChIKey is YENUGHBNAPDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-15-7-8-18(13-16(15)2)23(26)28-21-6-4-5-19(14-21)24-22(25)17-9-11-20(27-3)12-10-17/h4-14H,1-3H3,(H,24,25).
What are the key properties of [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate?
[3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate has a molecular weight of 375.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxybenzoyl)amino]phenyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 1321983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).