N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide

C15H23NO2 — CID 114875389

IUPACN-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-13(2)11-15(18)16(9-10-17)12-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3
InChIKeySAXVGUIBYVHICE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.44
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide

N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide (PubChem CID 114875389) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
PubChem CID114875389
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-13(2)11-15(18)16(9-10-17)12-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3
InChIKeySAXVGUIBYVHICE-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide (CID 114875389) is N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide is CCC(C)CC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
The InChIKey is SAXVGUIBYVHICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-13(2)11-15(18)16(9-10-17)12-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide?
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide is sourced from PubChem (CID 114875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).