acetamido 4-phenylmethoxybenzoate

C16H15NO4 — CID 174287466

IUPACacetamido 4-phenylmethoxybenzoate
SMILESCC(=O)NOC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-12(18)17-21-16(19)14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyYEAOCSRDZGHLOL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.47
Rot. Bonds4

About acetamido 4-phenylmethoxybenzoate

acetamido 4-phenylmethoxybenzoate (PubChem CID 174287466) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is acetamido 4-phenylmethoxybenzoate.

Molecular Properties

Compound Nameacetamido 4-phenylmethoxybenzoate
PubChem CID174287466
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameacetamido 4-phenylmethoxybenzoate
SMILESCC(=O)NOC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-12(18)17-21-16(19)14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyYEAOCSRDZGHLOL-UHFFFAOYSA-N
XLogP2.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
4-phenylmethoxybenzoic acid
CID 68896574
N-methyl-4-phenylmethoxybenzamide
CID 2996745
3-acetamido-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 91030001
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463

Frequently Asked Questions

What is the IUPAC name of acetamido 4-phenylmethoxybenzoate?
The IUPAC name of acetamido 4-phenylmethoxybenzoate (CID 174287466) is acetamido 4-phenylmethoxybenzoate.
What is the SMILES notation for acetamido 4-phenylmethoxybenzoate?
The canonical SMILES for acetamido 4-phenylmethoxybenzoate is CC(=O)NOC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of acetamido 4-phenylmethoxybenzoate?
The InChIKey is YEAOCSRDZGHLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-12(18)17-21-16(19)14-7-9-15(10-8-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of acetamido 4-phenylmethoxybenzoate?
acetamido 4-phenylmethoxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido 4-phenylmethoxybenzoate is sourced from PubChem (CID 174287466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).