2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide

C16H24N2O3 — CID 60654045

IUPAC2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)N(CCO)Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)15(17-13(3)20)16(21)18(9-10-19)11-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3,(H,17,20)
InChIKeyDUAWZNVHFVXERB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds7

About 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide

2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 60654045) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID60654045
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)N(CCO)Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)15(17-13(3)20)16(21)18(9-10-19)11-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3,(H,17,20)
InChIKeyDUAWZNVHFVXERB-UHFFFAOYSA-N
XLogP1.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 78796190
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78821590
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 78798058
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
tert-butyl N-[(2S)-1-[benzyl-[3-[benzyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10628201
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
CID 24637576

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide (CID 60654045) is 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide is CC(=O)NC(C(=O)N(CCO)Cc1ccccc1)C(C)C.
What is the InChIKey of 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is DUAWZNVHFVXERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)15(17-13(3)20)16(21)18(9-10-19)11-14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3,(H,17,20).
What are the key properties of 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 60654045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).