N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C15H23NO2 — CID 111662609

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)10-13(8-9-17)11-16-15(18)14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyLSCQKOMKEFTYFX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 111662609) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID111662609
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)10-13(8-9-17)11-16-15(18)14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyLSCQKOMKEFTYFX-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 111662479
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 111697544
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 111662609) is N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(C)CC(CCO)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is LSCQKOMKEFTYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)10-13(8-9-17)11-16-15(18)14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 249.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 111662609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).