2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide

C13H20N2O3 — CID 54950564

IUPAC2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1ccc(OC)cc1O
InChIInChI=1S/C13H20N2O3/c1-8(15-9(2)13(17)14-3)11-6-5-10(18-4)7-12(11)16/h5-9,15-16H,1-4H3,(H,14,17)
InChIKeyMDAGOQWWHOCLCG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.19
Rot. Bonds5

About 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide

2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide (PubChem CID 54950564) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
PubChem CID54950564
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)c1ccc(OC)cc1O
InChIInChI=1S/C13H20N2O3/c1-8(15-9(2)13(17)14-3)11-6-5-10(18-4)7-12(11)16/h5-9,15-16H,1-4H3,(H,14,17)
InChIKeyMDAGOQWWHOCLCG-UHFFFAOYSA-N
XLogP1.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide (CID 54950564) is 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide is CNC(=O)C(C)NC(C)c1ccc(OC)cc1O.
What is the InChIKey of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide?
The InChIKey is MDAGOQWWHOCLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(15-9(2)13(17)14-3)11-6-5-10(18-4)7-12(11)16/h5-9,15-16H,1-4H3,(H,14,17).
What are the key properties of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide?
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 54950564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).