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

C19H23NO2 — CID 110878165

IUPACN-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
SMILESCC(CC(=O)N(CCO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-16(18-10-6-3-7-11-18)14-19(22)20(12-13-21)15-17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3
InChIKeyHCUBZSWHZBVGFY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.20
Rot. Bonds7

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

N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide (PubChem CID 110878165) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
PubChem CID110878165
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
SMILESCC(CC(=O)N(CCO)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-16(18-10-6-3-7-11-18)14-19(22)20(12-13-21)15-17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3
InChIKeyHCUBZSWHZBVGFY-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135106882
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
CID 119197019
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
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide (CID 110878165) is N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide is CC(CC(=O)N(CCO)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide?
The InChIKey is HCUBZSWHZBVGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-16(18-10-6-3-7-11-18)14-19(22)20(12-13-21)15-17-8-4-2-5-9-17/h2-11,16,21H,12-15H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide?
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 3.20, 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-phenylbutanamide is sourced from PubChem (CID 110878165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).