[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate

C18H18N2O4 — CID 2993612

IUPAC[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1
InChIInChI=1S/C18H18N2O4/c1-3-17(22)24-14-10-8-13(9-11-14)18(23)20-16-7-5-4-6-15(16)19-12(2)21/h4-11H,3H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyLNZUUFNSEAQPON-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.21
Rot. Bonds5

About [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate

[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate (PubChem CID 2993612) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate.

Molecular Properties

Compound Name[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate
PubChem CID2993612
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1
InChIInChI=1S/C18H18N2O4/c1-3-17(22)24-14-10-8-13(9-11-14)18(23)20-16-7-5-4-6-15(16)19-12(2)21/h4-11H,3H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyLNZUUFNSEAQPON-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-cyanophenyl)carbamoyl]phenyl] propanoate
CID 2996679
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
[4-[(2-bromo-4-methylphenyl)carbamoyl]phenyl] propanoate
CID 5031417
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
CID 41121356
ethyl [4-[[2-(4-oxopentanoylamino)phenyl]carbamoyl]phenyl] carbonate
CID 108931042
[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl] propanoate
CID 2993801
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
3-carboxy-4-[(4-propanoyloxybenzoyl)amino]phenolate
CID 54689227
5-[(4-propanoyloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 4523280
phenyl propanoate
CID 161258381
ethyl [4-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] carbonate
CID 108931057
ethyl [4-[[2-[[[(E)-3-methylpent-2-enoyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931861

Frequently Asked Questions

What is the IUPAC name of [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate?
The IUPAC name of [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate (CID 2993612) is [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate.
What is the SMILES notation for [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate?
The canonical SMILES for [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate is CCC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1.
What is the InChIKey of [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate?
The InChIKey is LNZUUFNSEAQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-17(22)24-14-10-8-13(9-11-14)18(23)20-16-7-5-4-6-15(16)19-12(2)21/h4-11H,3H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate?
[4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate has a molecular weight of 326.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-acetamidophenyl)carbamoyl]phenyl] propanoate is sourced from PubChem (CID 2993612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).