N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide

C16H25NO2 — CID 103899541

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCCO)cc1C
InChIInChI=1S/C16H25NO2/c1-12-6-7-14(10-13(12)2)15(19)17-11-16(3,4)8-5-9-18/h6-7,10,18H,5,8-9,11H2,1-4H3,(H,17,19)
InChIKeyJOQZPVPTERQZDA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide

N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide (PubChem CID 103899541) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
PubChem CID103899541
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCCO)cc1C
InChIInChI=1S/C16H25NO2/c1-12-6-7-14(10-13(12)2)15(19)17-11-16(3,4)8-5-9-18/h6-7,10,18H,5,8-9,11H2,1-4H3,(H,17,19)
InChIKeyJOQZPVPTERQZDA-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
N-(3-bromo-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115364776
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
N-(5-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103899434
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
3-bromo-N-(5-bromo-2,2-dimethylpentyl)-4-methylbenzamide
CID 106145102
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
N-(4-hydroxy-2,2-dimethylbutyl)-4-methyl-3-nitrobenzamide
CID 103772472
N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
CID 103899419

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide (CID 103899541) is N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(C)(C)CCCO)cc1C.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide?
The InChIKey is JOQZPVPTERQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-7-14(10-13(12)2)15(19)17-11-16(3,4)8-5-9-18/h6-7,10,18H,5,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide?
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 103899541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).