3-(1-hydroxy-3,3-dimethylpentyl)benzamide

C14H21NO2 — CID 142840268

IUPAC3-(1-hydroxy-3,3-dimethylpentyl)benzamide
SMILESCCC(C)(C)CC(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)9-12(16)10-6-5-7-11(8-10)13(15)17/h5-8,12,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyFCZIDBILPYJGKE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds5

About 3-(1-hydroxy-3,3-dimethylpentyl)benzamide

3-(1-hydroxy-3,3-dimethylpentyl)benzamide (PubChem CID 142840268) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1-hydroxy-3,3-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3-(1-hydroxy-3,3-dimethylpentyl)benzamide
PubChem CID142840268
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(1-hydroxy-3,3-dimethylpentyl)benzamide
SMILESCCC(C)(C)CC(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)9-12(16)10-6-5-7-11(8-10)13(15)17/h5-8,12,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyFCZIDBILPYJGKE-UHFFFAOYSA-N
XLogP2.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dihydroxymethyl)benzamide
CID 174476205
3-[amino(hydroxy)methyl]benzamide
CID 140561822
3-carbamoylbenzoic acid
CID 3014284
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
3-[diethylsulfamoyl(methoxy)methyl]benzamide
CID 91128223
3-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171881383
3-(1,5-dihydroxyhexyl)benzoic acid
CID 175571650
3-(1,2,4-trihydroxybutyl)benzamide
CID 171872426
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
3-[bromo(methoxy)methyl]benzamide
CID 57281068
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
3-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892135

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3,3-dimethylpentyl)benzamide?
The IUPAC name of 3-(1-hydroxy-3,3-dimethylpentyl)benzamide (CID 142840268) is 3-(1-hydroxy-3,3-dimethylpentyl)benzamide.
What is the SMILES notation for 3-(1-hydroxy-3,3-dimethylpentyl)benzamide?
The canonical SMILES for 3-(1-hydroxy-3,3-dimethylpentyl)benzamide is CCC(C)(C)CC(O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(1-hydroxy-3,3-dimethylpentyl)benzamide?
The InChIKey is FCZIDBILPYJGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(2,3)9-12(16)10-6-5-7-11(8-10)13(15)17/h5-8,12,16H,4,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-(1-hydroxy-3,3-dimethylpentyl)benzamide?
3-(1-hydroxy-3,3-dimethylpentyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3,3-dimethylpentyl)benzamide is sourced from PubChem (CID 142840268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).