N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide

C15H23NO2 — CID 62679186

IUPACN-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-15(2,3)14(18)16(10-11-17)12-13-8-6-5-7-9-13/h5-9,17H,4,10-12H2,1-3H3
InChIKeyZFOXQCNCTTWTBE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.44
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide

N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide (PubChem CID 62679186) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
PubChem CID62679186
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-15(2,3)14(18)16(10-11-17)12-13-8-6-5-7-9-13/h5-9,17H,4,10-12H2,1-3H3
InChIKeyZFOXQCNCTTWTBE-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-benzyl-2,2-dimethylbutanehydrazide
CID 178067841
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide
CID 115426371
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
2-amino-N,N-dibenzyl-2-ethylbutanamide
CID 130161860
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide (CID 62679186) is N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
The InChIKey is ZFOXQCNCTTWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(2,3)14(18)16(10-11-17)12-13-8-6-5-7-9-13/h5-9,17H,4,10-12H2,1-3H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.44, 6 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)-2,2-dimethylbutanamide is sourced from PubChem (CID 62679186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).