N-(4-hydroxy-3-methylbutyl)benzamide

C12H17NO2 — CID 130383332

IUPACN-(4-hydroxy-3-methylbutyl)benzamide
SMILESCC(CO)CCNC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(9-14)7-8-13-12(15)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyAAOGTMCBLWEUJY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.43
Rot. Bonds5

About N-(4-hydroxy-3-methylbutyl)benzamide

N-(4-hydroxy-3-methylbutyl)benzamide (PubChem CID 130383332) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutyl)benzamide
PubChem CID130383332
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(4-hydroxy-3-methylbutyl)benzamide
SMILESCC(CO)CCNC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(9-14)7-8-13-12(15)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyAAOGTMCBLWEUJY-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-(4-hydroxy-3-methylbutyl)benzamide (CID 130383332) is N-(4-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutyl)benzamide is CC(CO)CCNC(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-3-methylbutyl)benzamide?
The InChIKey is AAOGTMCBLWEUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(9-14)7-8-13-12(15)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylbutyl)benzamide?
N-(4-hydroxy-3-methylbutyl)benzamide has a molecular weight of 207.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 130383332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).