2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide

C13H20N2O2 — CID 55100965

IUPAC2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H20N2O2/c1-3-6-14-7-8-15-13(17)11-9-10(2)4-5-12(11)16/h4-5,9,14,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyVRIVNBJNEMRZJT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds6

About 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide

2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide (PubChem CID 55100965) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
PubChem CID55100965
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H20N2O2/c1-3-6-14-7-8-15-13(17)11-9-10(2)4-5-12(11)16/h4-5,9,14,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyVRIVNBJNEMRZJT-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
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-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
CID 79456992
N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
CID 161032004
2-hydroxy-5-methyl-N-(3-methylsulfinylbutyl)benzamide
CID 115735985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide (CID 55100965) is 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is VRIVNBJNEMRZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-14-7-8-15-13(17)11-9-10(2)4-5-12(11)16/h4-5,9,14,16H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide?
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.43, 6 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-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 55100965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).