[4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate

C31H24N2O7 — CID 1349808

IUPAC[4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3cccc(NC(=O)c4ccc(OC(C)=O)cc4)c3)c2)cc1
InChIInChI=1S/C31H24N2O7/c1-19(34)39-27-13-9-21(10-14-27)30(37)32-25-7-3-5-23(17-25)29(36)24-6-4-8-26(18-24)33-31(38)22-11-15-28(16-12-22)40-20(2)35/h3-18H,1-2H3,(H,32,37)(H,33,38)
InChIKeySFLDAQSATWBWJP-UHFFFAOYSA-N
MW536.54 g/mol
LogP5.27
Rot. Bonds8

About [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate

[4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate (PubChem CID 1349808) has the molecular formula C31H24N2O7 and a molecular weight of 536.54 g/mol. Its IUPAC name is [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate
PubChem CID1349808
Molecular FormulaC31H24N2O7
Molecular Weight536.54 g/mol
Exact Mass536.16
IUPAC Name[4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3cccc(NC(=O)c4ccc(OC(C)=O)cc4)c3)c2)cc1
InChIInChI=1S/C31H24N2O7/c1-19(34)39-27-13-9-21(10-14-27)30(37)32-25-7-3-5-23(17-25)29(36)24-6-4-8-26(18-24)33-31(38)22-11-15-28(16-12-22)40-20(2)35/h3-18H,1-2H3,(H,32,37)(H,33,38)
InChIKeySFLDAQSATWBWJP-UHFFFAOYSA-N
XLogP5.27
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.54
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

VU0357121
CID 2296132
4-Methoxy-N-(1-naphthyl)benzamide
CID 303390
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
CID 127045675
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenoxyphenyl)formamido]propanamide
CID 23648337
3-[(5-Acetyl-2-Ethoxyphenyl)carbamoyl]benzoic Acid
CID 91808023
N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 22431219
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
4-methoxy-N-naphthalen-2-ylbenzamide
CID 224146
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1349858

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate (CID 1349808) is [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3cccc(NC(=O)c4ccc(OC(C)=O)cc4)c3)c2)cc1.
What is the InChIKey of [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is SFLDAQSATWBWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O7/c1-19(34)39-27-13-9-21(10-14-27)30(37)32-25-7-3-5-23(17-25)29(36)24-6-4-8-26(18-24)33-31(38)22-11-15-28(16-12-22)40-20(2)35/h3-18H,1-2H3,(H,32,37)(H,33,38).
What are the key properties of [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate?
[4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 536.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 1349808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).