N-hexan-3-yl-3-hydroxy-4-methylbenzamide

C14H21NO2 — CID 62118967

IUPACN-hexan-3-yl-3-hydroxy-4-methylbenzamide
SMILESCCCC(CC)NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C14H21NO2/c1-4-6-12(5-2)15-14(17)11-8-7-10(3)13(16)9-11/h7-9,12,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyYPQSGQXZOZYFBG-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds5

About N-hexan-3-yl-3-hydroxy-4-methylbenzamide

N-hexan-3-yl-3-hydroxy-4-methylbenzamide (PubChem CID 62118967) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-hexan-3-yl-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-hexan-3-yl-3-hydroxy-4-methylbenzamide
PubChem CID62118967
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-hexan-3-yl-3-hydroxy-4-methylbenzamide
SMILESCCCC(CC)NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C14H21NO2/c1-4-6-12(5-2)15-14(17)11-8-7-10(3)13(16)9-11/h7-9,12,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyYPQSGQXZOZYFBG-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
4-amino-N-hexan-3-ylbenzamide
CID 62094734
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
CID 62092751
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-hexan-3-yl-3-hydroxy-4-methylbenzamide (CID 62118967) is N-hexan-3-yl-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-hexan-3-yl-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-hexan-3-yl-3-hydroxy-4-methylbenzamide is CCCC(CC)NC(=O)c1ccc(C)c(O)c1.
What is the InChIKey of N-hexan-3-yl-3-hydroxy-4-methylbenzamide?
The InChIKey is YPQSGQXZOZYFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-12(5-2)15-14(17)11-8-7-10(3)13(16)9-11/h7-9,12,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-hexan-3-yl-3-hydroxy-4-methylbenzamide?
N-hexan-3-yl-3-hydroxy-4-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 62118967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).