3-(4-formylphenyl)propanamide

C10H11NO2 — CID 66485595

IUPAC3-(4-formylphenyl)propanamide
SMILESNC(=O)CCc1ccc(C=O)cc1
InChIInChI=1S/C10H11NO2/c11-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-4,7H,5-6H2,(H2,11,13)
InChIKeyGRRCQJKVIQOFDT-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.92
Rot. Bonds4

About 3-(4-formylphenyl)propanamide

3-(4-formylphenyl)propanamide (PubChem CID 66485595) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(4-formylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-formylphenyl)propanamide
PubChem CID66485595
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(4-formylphenyl)propanamide
SMILESNC(=O)CCc1ccc(C=O)cc1
InChIInChI=1S/C10H11NO2/c11-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-4,7H,5-6H2,(H2,11,13)
InChIKeyGRRCQJKVIQOFDT-UHFFFAOYSA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
methyl 3-(4-formylphenyl)propanoate
CID 11063253
ethane;3-(4-methylphenyl)propanamide
CID 142510251
carbonic acid;3-phenylpropanamide
CID 174965682
3-(4-chloro-3-formylphenyl)propanamide
CID 90949982
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
4-(3-oxopropyl)benzaldehyde
CID 12927813
carbanide;3-phenylpropanamide;yttrium
CID 160557542
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylphenyl)propanamide?
The IUPAC name of 3-(4-formylphenyl)propanamide (CID 66485595) is 3-(4-formylphenyl)propanamide.
What is the SMILES notation for 3-(4-formylphenyl)propanamide?
The canonical SMILES for 3-(4-formylphenyl)propanamide is NC(=O)CCc1ccc(C=O)cc1.
What is the InChIKey of 3-(4-formylphenyl)propanamide?
The InChIKey is GRRCQJKVIQOFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-4,7H,5-6H2,(H2,11,13).
What are the key properties of 3-(4-formylphenyl)propanamide?
3-(4-formylphenyl)propanamide has a molecular weight of 177.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylphenyl)propanamide is sourced from PubChem (CID 66485595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).