2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide

C13H20N2O3 — CID 43573898

IUPAC2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(CNC(C)C(=O)N(C)C)ccc1O
InChIInChI=1S/C13H20N2O3/c1-9(13(17)15(2)3)14-8-10-5-6-11(16)12(7-10)18-4/h5-7,9,14,16H,8H2,1-4H3
InChIKeyVUJZJHZSNOLNDE-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.97
Rot. Bonds5

About 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide

2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 43573898) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID43573898
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(CNC(C)C(=O)N(C)C)ccc1O
InChIInChI=1S/C13H20N2O3/c1-9(13(17)15(2)3)14-8-10-5-6-11(16)12(7-10)18-4/h5-7,9,14,16H,8H2,1-4H3
InChIKeyVUJZJHZSNOLNDE-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide 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-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 107685376
2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide
CID 77066010
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
2-[(4-hydroxy-3-methoxyphenyl)methylamino]butanoic acid
CID 82364241
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43573995
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide (CID 43573898) is 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide is COc1cc(CNC(C)C(=O)N(C)C)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is VUJZJHZSNOLNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(13(17)15(2)3)14-8-10-5-6-11(16)12(7-10)18-4/h5-7,9,14,16H,8H2,1-4H3.
What are the key properties of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43573898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).