3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide

C16H25NO3 — CID 111578629

IUPAC3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide
SMILESCCCC(O)(CCC)CNC(=O)c1cc(C)cc(O)c1
InChIInChI=1S/C16H25NO3/c1-4-6-16(20,7-5-2)11-17-15(19)13-8-12(3)9-14(18)10-13/h8-10,18,20H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyPOFJDPRIHSQNSD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.76
Rot. Bonds7

About 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide

3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide (PubChem CID 111578629) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide
PubChem CID111578629
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide
SMILESCCCC(O)(CCC)CNC(=O)c1cc(C)cc(O)c1
InChIInChI=1S/C16H25NO3/c1-4-6-16(20,7-5-2)11-17-15(19)13-8-12(3)9-14(18)10-13/h8-10,18,20H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyPOFJDPRIHSQNSD-UHFFFAOYSA-N
XLogP2.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide
CID 142176997
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-(2-hydroxy-2-propylpentyl)-3-nitrobenzamide
CID 111444852
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-(2-hydroxy-2-propylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485093
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
CID 106255765

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide (CID 111578629) is 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide is CCCC(O)(CCC)CNC(=O)c1cc(C)cc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide?
The InChIKey is POFJDPRIHSQNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-6-16(20,7-5-2)11-17-15(19)13-8-12(3)9-14(18)10-13/h8-10,18,20H,4-7,11H2,1-3H3,(H,17,19).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide?
3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide is sourced from PubChem (CID 111578629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).