(4-benzamidophenyl) 2-acetamidopropanoate

C18H18N2O4 — CID 78778854

IUPAC(4-benzamidophenyl) 2-acetamidopropanoate
SMILESCC(=O)NC(C)C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(19-13(2)21)18(23)24-16-10-8-15(9-11-16)20-17(22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyCPFWMJIDDHTELF-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.37
Rot. Bonds5

About (4-benzamidophenyl) 2-acetamidopropanoate

(4-benzamidophenyl) 2-acetamidopropanoate (PubChem CID 78778854) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4-benzamidophenyl) 2-acetamidopropanoate.

Molecular Properties

Compound Name(4-benzamidophenyl) 2-acetamidopropanoate
PubChem CID78778854
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(4-benzamidophenyl) 2-acetamidopropanoate
SMILESCC(=O)NC(C)C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(19-13(2)21)18(23)24-16-10-8-15(9-11-16)20-17(22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyCPFWMJIDDHTELF-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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-benzamidophenyl) acetate
CID 34734144
(4-benzamidophenyl) benzoate
CID 569583
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
CID 118047320
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
(4-acetamidophenyl) 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 51152582
[4-(phenylcarbamoyl)phenyl] 2-(2-tert-butylphenoxy)propanoate
CID 53266389
phenyl 2-(hydroxyamino)propanoate
CID 88707618
[4-[[3,5-bis[(4-phenoxycarbonyloxybenzoyl)amino]benzoyl]amino]phenyl] phenyl carbonate
CID 118047331

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 2-acetamidopropanoate?
The IUPAC name of (4-benzamidophenyl) 2-acetamidopropanoate (CID 78778854) is (4-benzamidophenyl) 2-acetamidopropanoate.
What is the SMILES notation for (4-benzamidophenyl) 2-acetamidopropanoate?
The canonical SMILES for (4-benzamidophenyl) 2-acetamidopropanoate is CC(=O)NC(C)C(=O)Oc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzamidophenyl) 2-acetamidopropanoate?
The InChIKey is CPFWMJIDDHTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(19-13(2)21)18(23)24-16-10-8-15(9-11-16)20-17(22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of (4-benzamidophenyl) 2-acetamidopropanoate?
(4-benzamidophenyl) 2-acetamidopropanoate has a molecular weight of 326.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 2-acetamidopropanoate is sourced from PubChem (CID 78778854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).