N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide

C15H23NO3 — CID 62519943

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1COC
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-17)16-14(18)13-9-7-6-8-12(13)10-19-3/h6-9,17H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyPVKZPDUMZQXAMJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide (PubChem CID 62519943) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
PubChem CID62519943
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1COC
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-17)16-14(18)13-9-7-6-8-12(13)10-19-3/h6-9,17H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyPVKZPDUMZQXAMJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-[3-(chloromethyl)pentan-3-yl]-2-ethylbenzamide
CID 114304484
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbenzamide
CID 113275780
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)benzamide
CID 63108482
N,2-bis(methoxymethyl)benzamide
CID 91153220
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
CID 103604607
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 115540629

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide (CID 62519943) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide is CCC(CC)(CO)NC(=O)c1ccccc1COC.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide?
The InChIKey is PVKZPDUMZQXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(5-2,11-17)16-14(18)13-9-7-6-8-12(13)10-19-3/h6-9,17H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 62519943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).