N-(3-hydroxy-4,4-dimethylpentyl)benzamide

C14H21NO2 — CID 90523327

IUPACN-(3-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)C(O)CCNC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)12(16)9-10-15-13(17)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyIMBBEWBQYDWSQW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)benzamide

N-(3-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 90523327) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID90523327
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)C(O)CCNC(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)12(16)9-10-15-13(17)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChIKeyIMBBEWBQYDWSQW-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
CID 95984730
2-ethylsulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984626
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)benzamide (CID 90523327) is N-(3-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)benzamide is CC(C)(C)C(O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is IMBBEWBQYDWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)12(16)9-10-15-13(17)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
N-(3-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 90523327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).