N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide

C14H22N2O2 — CID 54870765

IUPACN-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(2)15-10-14(18)16(8-9-17)11-13-6-4-3-5-7-13/h3-7,12,15,17H,8-11H2,1-2H3
InChIKeyQOFONJDOCYJNEN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.01
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide

N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide (PubChem CID 54870765) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
PubChem CID54870765
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(2)15-10-14(18)16(8-9-17)11-13-6-4-3-5-7-13/h3-7,12,15,17H,8-11H2,1-2H3
InChIKeyQOFONJDOCYJNEN-UHFFFAOYSA-N
XLogP1.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
N-benzyl-2-(2,6-dimethylanilino)-N-(2-hydroxyethyl)acetamide
CID 111565385
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide (CID 54870765) is N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is QOFONJDOCYJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(2)15-10-14(18)16(8-9-17)11-13-6-4-3-5-7-13/h3-7,12,15,17H,8-11H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide?
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54870765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).