N-(4-amino-2-methylbutyl)-4-hydroxybenzamide

C12H18N2O2 — CID 66089978

IUPACN-(4-amino-2-methylbutyl)-4-hydroxybenzamide
SMILESCC(CCN)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(6-7-13)8-14-12(16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyXTTLXPUYIHOYPA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-4-hydroxybenzamide

N-(4-amino-2-methylbutyl)-4-hydroxybenzamide (PubChem CID 66089978) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-4-hydroxybenzamide
PubChem CID66089978
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-amino-2-methylbutyl)-4-hydroxybenzamide
SMILESCC(CCN)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(6-7-13)8-14-12(16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyXTTLXPUYIHOYPA-UHFFFAOYSA-N
XLogP1.11
TPSA75.35 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 ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(4-aminobutan-2-yl)-4-hydroxybenzamide
CID 62092757
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
4-amino-N-(2-methylbutyl)benzamide
CID 22242294

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-4-hydroxybenzamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-4-hydroxybenzamide (CID 66089978) is N-(4-amino-2-methylbutyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-4-hydroxybenzamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-4-hydroxybenzamide is CC(CCN)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-4-hydroxybenzamide?
The InChIKey is XTTLXPUYIHOYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(6-7-13)8-14-12(16)10-2-4-11(15)5-3-10/h2-5,9,15H,6-8,13H2,1H3,(H,14,16).
What are the key properties of N-(4-amino-2-methylbutyl)-4-hydroxybenzamide?
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-4-hydroxybenzamide is sourced from PubChem (CID 66089978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).