2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide

C12H18N2O2 — CID 43600759

IUPAC2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(15)10(8-9)12(16)14-7-3-6-13-2/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyLOXZJGXBJOCIRW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds5

About 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide

2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide (PubChem CID 43600759) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
PubChem CID43600759
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(15)10(8-9)12(16)14-7-3-6-13-2/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyLOXZJGXBJOCIRW-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
CID 79456992
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
CID 161032004
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
CID 115735985
2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
CID 119429870
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide (CID 43600759) is 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide?
The InChIKey is LOXZJGXBJOCIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11(15)10(8-9)12(16)14-7-3-6-13-2/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide?
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 43600759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).