N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide

C15H23NO3 — CID 71969005

IUPACN-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
SMILESCCC(C)C(O)CNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C15H23NO3/c1-4-11(2)14(17)9-16-15(18)13-7-5-12(6-8-13)10-19-3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyMMZHWXFEXPTPPN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds7

About N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide

N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide (PubChem CID 71969005) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
PubChem CID71969005
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
SMILESCCC(C)C(O)CNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C15H23NO3/c1-4-11(2)14(17)9-16-15(18)13-7-5-12(6-8-13)10-19-3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyMMZHWXFEXPTPPN-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
CID 110000219
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
CID 134006113
N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
CID 43405155

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide (CID 71969005) is N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide is CCC(C)C(O)CNC(=O)c1ccc(COC)cc1.
What is the InChIKey of N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide?
The InChIKey is MMZHWXFEXPTPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-11(2)14(17)9-16-15(18)13-7-5-12(6-8-13)10-19-3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide?
N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 71969005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).