3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide

C17H19NO4 — CID 12822107

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2O)cc1OC
InChIInChI=1S/C17H19NO4/c1-21-15-9-7-12(11-16(15)22-2)8-10-17(20)18-13-5-3-4-6-14(13)19/h3-7,9,11,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyWGBPPWFGJFSNRW-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.98
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide (PubChem CID 12822107) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
PubChem CID12822107
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2O)cc1OC
InChIInChI=1S/C17H19NO4/c1-21-15-9-7-12(11-16(15)22-2)8-10-17(20)18-13-5-3-4-6-14(13)19/h3-7,9,11,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyWGBPPWFGJFSNRW-UHFFFAOYSA-N
XLogP2.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 24514263
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
3-(3,4-dimethoxyphenyl)-N-imidazo[1,2-a]pyridin-8-ylpropanamide
CID 110745748
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide (CID 12822107) is 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccccc2O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide?
The InChIKey is WGBPPWFGJFSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-15-9-7-12(11-16(15)22-2)8-10-17(20)18-13-5-3-4-6-14(13)19/h3-7,9,11,19H,8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide has a molecular weight of 301.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 12822107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).