2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide

C13H20N2O3 — CID 115302649

IUPAC2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(7-14-2)8-15-13(17)11-5-4-10(18-3)6-12(11)16/h4-6,9,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyKWZJIYWSOLRPTR-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.99
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide

2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide (PubChem CID 115302649) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
PubChem CID115302649
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(7-14-2)8-15-13(17)11-5-4-10(18-3)6-12(11)16/h4-6,9,14,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyKWZJIYWSOLRPTR-UHFFFAOYSA-N
XLogP0.99
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
CID 64540805
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide (CID 115302649) is 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide is CNCC(C)CNC(=O)c1ccc(OC)cc1O.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide?
The InChIKey is KWZJIYWSOLRPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(7-14-2)8-15-13(17)11-5-4-10(18-3)6-12(11)16/h4-6,9,14,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide?
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide is sourced from PubChem (CID 115302649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).