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

C13H19NO2 — CID 55209778

IUPACN-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-13(4-2,10-15)14-12(16)11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3,(H,14,16)
InChIKeyGKNALRBDHPNHSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

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

N-[3-(hydroxymethyl)pentan-3-yl]benzamide (PubChem CID 55209778) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]benzamide
PubChem CID55209778
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]benzamide
SMILESCCC(CC)(CO)NC(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-13(4-2,10-15)14-12(16)11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3,(H,14,16)
InChIKeyGKNALRBDHPNHSQ-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-benzamido-2-(hydroxymethyl)butyl] benzoate
CID 24865317
N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62520110
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
N-[3-(hydroxymethyl)pentan-3-yl]-3-nitrobenzamide
CID 55082199
4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630211
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
CID 103604607
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 103890885
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]benzamide (CID 55209778) is N-[3-(hydroxymethyl)pentan-3-yl]benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]benzamide is CCC(CC)(CO)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
The InChIKey is GKNALRBDHPNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-13(4-2,10-15)14-12(16)11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]benzamide?
N-[3-(hydroxymethyl)pentan-3-yl]benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]benzamide is sourced from PubChem (CID 55209778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).