3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide

C19H23NO4 — CID 112529616

IUPAC3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cccc(CCNC(=O)C(C)Cc2ccc(O)c(O)c2)c1
InChIInChI=1S/C19H23NO4/c1-13(10-15-6-7-17(21)18(22)12-15)19(23)20-9-8-14-4-3-5-16(11-14)24-2/h3-7,11-13,21-22H,8-10H2,1-2H3,(H,20,23)
InChIKeyHFOWHXZULUCAEV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.64
Rot. Bonds7

About 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide

3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 112529616) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID112529616
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cccc(CCNC(=O)C(C)Cc2ccc(O)c(O)c2)c1
InChIInChI=1S/C19H23NO4/c1-13(10-15-6-7-17(21)18(22)12-15)19(23)20-9-8-14-4-3-5-16(11-14)24-2/h3-7,11-13,21-22H,8-10H2,1-2H3,(H,20,23)
InChIKeyHFOWHXZULUCAEV-UHFFFAOYSA-N
XLogP2.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
N-[2-(3-butan-2-yloxyphenyl)ethyl]-3-(3-cyclopropyl-4-hydroxyphenyl)-2-methylpropanamide
CID 91272762
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide (CID 112529616) is 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide is COc1cccc(CCNC(=O)C(C)Cc2ccc(O)c(O)c2)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is HFOWHXZULUCAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(10-15-6-7-17(21)18(22)12-15)19(23)20-9-8-14-4-3-5-16(11-14)24-2/h3-7,11-13,21-22H,8-10H2,1-2H3,(H,20,23).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide?
3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 112529616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).