2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide

C13H17NO3 — CID 90104695

IUPAC2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1cccc(C=O)c1
InChIInChI=1S/C13H17NO3/c1-10(9-17-2)14-13(16)7-11-4-3-5-12(6-11)8-15/h3-6,8,10H,7,9H2,1-2H3,(H,14,16)
InChIKeyRGZLCRXRCKOPKL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.19
Rot. Bonds6

About 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide

2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 90104695) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID90104695
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1cccc(C=O)c1
InChIInChI=1S/C13H17NO3/c1-10(9-17-2)14-13(16)7-11-4-3-5-12(6-11)8-15/h3-6,8,10H,7,9H2,1-2H3,(H,14,16)
InChIKeyRGZLCRXRCKOPKL-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60624302
2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide
CID 90104523
methyl (2S)-2-amino-3-(3-formylphenyl)propanoate
CID 123194061
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66347465
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
N-(1-methoxypropan-2-yl)-2-(phenylmethoxyamino)acetamide
CID 64974525

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide (CID 90104695) is 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is RGZLCRXRCKOPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(9-17-2)14-13(16)7-11-4-3-5-12(6-11)8-15/h3-6,8,10H,7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 90104695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).