N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide

C11H16N2O3 — CID 102695280

IUPACN-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccc(OC)cc1O
InChIInChI=1S/C11H16N2O3/c1-12-6-5-11(15)13-9-4-3-8(16-2)7-10(9)14/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyIZOZBPVTNSRWDN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.95
Rot. Bonds5

About N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide

N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide (PubChem CID 102695280) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
PubChem CID102695280
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccc(OC)cc1O
InChIInChI=1S/C11H16N2O3/c1-12-6-5-11(15)13-9-4-3-8(16-2)7-10(9)14/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyIZOZBPVTNSRWDN-UHFFFAOYSA-N
XLogP0.95
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 102695182
5-methoxy-2-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 115411509
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide (CID 102695280) is N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1ccc(OC)cc1O.
What is the InChIKey of N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide?
The InChIKey is IZOZBPVTNSRWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-6-5-11(15)13-9-4-3-8(16-2)7-10(9)14/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide?
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 102695280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).