N-(4-aminobutan-2-yl)-4-hydroxybenzamide

C11H16N2O2 — CID 62092757

IUPACN-(4-aminobutan-2-yl)-4-hydroxybenzamide
SMILESCC(CCN)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(6-7-12)13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyPKAIWDHCSNHOPV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.86
Rot. Bonds4

About N-(4-aminobutan-2-yl)-4-hydroxybenzamide

N-(4-aminobutan-2-yl)-4-hydroxybenzamide (PubChem CID 62092757) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-4-hydroxybenzamide
PubChem CID62092757
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(4-aminobutan-2-yl)-4-hydroxybenzamide
SMILESCC(CCN)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(6-7-12)13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyPKAIWDHCSNHOPV-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 97236104
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-4-hydroxybenzamide?
The IUPAC name of N-(4-aminobutan-2-yl)-4-hydroxybenzamide (CID 62092757) is N-(4-aminobutan-2-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-4-hydroxybenzamide is CC(CCN)NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(4-aminobutan-2-yl)-4-hydroxybenzamide?
The InChIKey is PKAIWDHCSNHOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(6-7-12)13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of N-(4-aminobutan-2-yl)-4-hydroxybenzamide?
N-(4-aminobutan-2-yl)-4-hydroxybenzamide has a molecular weight of 208.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-4-hydroxybenzamide is sourced from PubChem (CID 62092757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).