N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide

C12H18N2O3 — CID 107726381

IUPACN-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
SMILESCC(CCN)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H18N2O3/c1-8(4-5-13)7-14-12(17)10-3-2-9(15)6-11(10)16/h2-3,6,8,15-16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyXOJLZWOVGVHBRY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.81
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide

N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide (PubChem CID 107726381) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
PubChem CID107726381
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
SMILESCC(CCN)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H18N2O3/c1-8(4-5-13)7-14-12(17)10-3-2-9(15)6-11(10)16/h2-3,6,8,15-16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyXOJLZWOVGVHBRY-UHFFFAOYSA-N
XLogP0.81
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
CID 107726046
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide (CID 107726381) is N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide is CC(CCN)CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide?
The InChIKey is XOJLZWOVGVHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(4-5-13)7-14-12(17)10-3-2-9(15)6-11(10)16/h2-3,6,8,15-16H,4-5,7,13H2,1H3,(H,14,17).
What are the key properties of N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide?
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 107726381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).