[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate

C22H18N2O5 — CID 3881325

IUPAC[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-14(25)29-20-11-7-16(8-12-20)21(27)23-17-9-5-15(6-10-17)22(28)24-18-3-2-4-19(26)13-18/h2-13,26H,1H3,(H,23,27)(H,24,28)
InChIKeyQPKRPTGKALMYKM-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.82
Rot. Bonds5

About [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate

[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate (PubChem CID 3881325) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
PubChem CID3881325
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-14(25)29-20-11-7-16(8-12-20)21(27)23-17-9-5-15(6-10-17)22(28)24-18-3-2-4-19(26)13-18/h2-13,26H,1H3,(H,23,27)(H,24,28)
InChIKeyQPKRPTGKALMYKM-UHFFFAOYSA-N
XLogP3.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
(4-benzamidophenyl) acetate
CID 34734144
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
ethyl [4-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930854
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 1105612
5-[(4-acetyloxybenzoyl)amino]-2-carboxyphenolate
CID 54711888
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
CID 19760315
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
CID 2329700
[4-[(4-aminophenyl)carbamoyl]phenyl] acetate;N-(4-aminophenyl)-4-chlorobenzamide
CID 70189284

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate (CID 3881325) is [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1.
What is the InChIKey of [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is QPKRPTGKALMYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-14(25)29-20-11-7-16(8-12-20)21(27)23-17-9-5-15(6-10-17)22(28)24-18-3-2-4-19(26)13-18/h2-13,26H,1H3,(H,23,27)(H,24,28).
What are the key properties of [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate?
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 390.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 3881325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).