N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide

C15H23NO3 — CID 103862006

IUPACN-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCCCC(C)CO
InChIInChI=1S/C15H23NO3/c1-12(10-17)6-5-9-16-15(18)14-8-4-3-7-13(14)11-19-2/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,16,18)
InChIKeyULRGFEHWYDKMNN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide

N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide (PubChem CID 103862006) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
PubChem CID103862006
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCCCC(C)CO
InChIInChI=1S/C15H23NO3/c1-12(10-17)6-5-9-16-15(18)14-8-4-3-7-13(14)11-19-2/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,16,18)
InChIKeyULRGFEHWYDKMNN-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N,2-bis(methoxymethyl)benzamide
CID 91153220
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
CID 79247451
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide (CID 103862006) is N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
The InChIKey is ULRGFEHWYDKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(10-17)6-5-9-16-15(18)14-8-4-3-7-13(14)11-19-2/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide is sourced from PubChem (CID 103862006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).