2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide

C12H15NO3 — CID 90104523

IUPAC2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1cccc(C=O)c1
InChIInChI=1S/C12H15NO3/c1-9(15)7-13-12(16)6-10-3-2-4-11(5-10)8-14/h2-5,8-9,15H,6-7H2,1H3,(H,13,16)
InChIKeyHDGVJEBZUZBSMP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.54
Rot. Bonds5

About 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide

2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide (PubChem CID 90104523) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide
PubChem CID90104523
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cc1cccc(C=O)c1
InChIInChI=1S/C12H15NO3/c1-9(15)7-13-12(16)6-10-3-2-4-11(5-10)8-14/h2-5,8-9,15H,6-7H2,1H3,(H,13,16)
InChIKeyHDGVJEBZUZBSMP-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 90104695
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 86596071
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
N-[2-(2-hydroxypropylamino)-2-methylpropyl]-2-phenylacetamide
CID 173411710
methyl (2S)-2-amino-3-(3-formylphenyl)propanoate
CID 123194061
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide (CID 90104523) is 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)Cc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide?
The InChIKey is HDGVJEBZUZBSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(15)7-13-12(16)6-10-3-2-4-11(5-10)8-14/h2-5,8-9,15H,6-7H2,1H3,(H,13,16).
What are the key properties of 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide?
2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide has a molecular weight of 221.26 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 90104523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).