N-benzyl-2-(4-formylphenoxy)acetamide

C16H15NO3 — CID 17201664

IUPACN-benzyl-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-11-14-6-8-15(9-7-14)20-12-16(19)17-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,17,19)
InChIKeyJCPGPKCWIDFEEH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.19
Rot. Bonds6

About N-benzyl-2-(4-formylphenoxy)acetamide

N-benzyl-2-(4-formylphenoxy)acetamide (PubChem CID 17201664) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-benzyl-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-formylphenoxy)acetamide
PubChem CID17201664
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-benzyl-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-11-14-6-8-15(9-7-14)20-12-16(19)17-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,17,19)
InChIKeyJCPGPKCWIDFEEH-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
CID 94832020
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 78878322
3-benzyl-1-[2-(4-formylphenoxy)ethyl]-1-methylurea
CID 10245009
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283
2-(4-formylphenoxy)acetic acid;2-(4-formylphenoxy)-N-propylacetamide
CID 159419255
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(4-formylphenoxy)acetamide (CID 17201664) is N-benzyl-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(4-formylphenoxy)acetamide is O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-formylphenoxy)acetamide?
The InChIKey is JCPGPKCWIDFEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-11-14-6-8-15(9-7-14)20-12-16(19)17-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,17,19).
What are the key properties of N-benzyl-2-(4-formylphenoxy)acetamide?
N-benzyl-2-(4-formylphenoxy)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 17201664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).