N-(3-formylphenyl)-3-phenoxypropanamide

C16H15NO3 — CID 106912466

IUPACN-(3-formylphenyl)-3-phenoxypropanamide
SMILESO=Cc1cccc(NC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H15NO3/c18-12-13-5-4-6-14(11-13)17-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,17,19)
InChIKeyXVVOYFXWAUVMQK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.91
Rot. Bonds6

About N-(3-formylphenyl)-3-phenoxypropanamide

N-(3-formylphenyl)-3-phenoxypropanamide (PubChem CID 106912466) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3-formylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-3-phenoxypropanamide
PubChem CID106912466
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(3-formylphenyl)-3-phenoxypropanamide
SMILESO=Cc1cccc(NC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H15NO3/c18-12-13-5-4-6-14(11-13)17-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,17,19)
InChIKeyXVVOYFXWAUVMQK-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-formylphenyl)-3-phenoxypropanamide (CID 106912466) is N-(3-formylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-formylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-formylphenyl)-3-phenoxypropanamide is O=Cc1cccc(NC(=O)CCOc2ccccc2)c1.
What is the InChIKey of N-(3-formylphenyl)-3-phenoxypropanamide?
The InChIKey is XVVOYFXWAUVMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-12-13-5-4-6-14(11-13)17-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,17,19).
What are the key properties of N-(3-formylphenyl)-3-phenoxypropanamide?
N-(3-formylphenyl)-3-phenoxypropanamide has a molecular weight of 269.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 106912466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).