N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide

C14H21NO3 — CID 115767323

IUPACN-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
SMILESCCC(CCO)NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-4-11(7-8-16)15-14(17)12-9-10(2)5-6-13(12)18-3/h5-6,9,11,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyYIBFLKPIYCEVAX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide

N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide (PubChem CID 115767323) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
PubChem CID115767323
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
SMILESCCC(CCO)NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-4-11(7-8-16)15-14(17)12-9-10(2)5-6-13(12)18-3/h5-6,9,11,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyYIBFLKPIYCEVAX-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
CID 62647253
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
CID 115735137
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide (CID 115767323) is N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide is CCC(CCO)NC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is YIBFLKPIYCEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-11(7-8-16)15-14(17)12-9-10(2)5-6-13(12)18-3/h5-6,9,11,16H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide?
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 115767323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).