N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide

C16H25NO2 — CID 111446501

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-6-13(4)16(5,19)10-17-15(18)14-8-7-11(2)9-12(14)3/h7-9,13,19H,6,10H2,1-5H3,(H,17,18)
InChIKeyLYCOMSBECZQVQF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide

N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide (PubChem CID 111446501) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
PubChem CID111446501
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-6-13(4)16(5,19)10-17-15(18)14-8-7-11(2)9-12(14)3/h7-9,13,19H,6,10H2,1-5H3,(H,17,18)
InChIKeyLYCOMSBECZQVQF-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide (CID 111446501) is N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide?
The InChIKey is LYCOMSBECZQVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-13(4)16(5,19)10-17-15(18)14-8-7-11(2)9-12(14)3/h7-9,13,19H,6,10H2,1-5H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 111446501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).