4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide

C14H22N2O2 — CID 81086515

IUPAC4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(10-15)9-14(18)16(7-8-17)11-13-5-3-2-4-6-13/h2-6,12,17H,7-11,15H2,1H3
InChIKeyJJCJLIYGJSEGCP-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.99
Rot. Bonds7

About 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide

4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 81086515) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID81086515
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(10-15)9-14(18)16(7-8-17)11-13-5-3-2-4-6-13/h2-6,12,17H,7-11,15H2,1H3
InChIKeyJJCJLIYGJSEGCP-UHFFFAOYSA-N
XLogP0.99
TPSA66.56 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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
3-(aminomethyl)-N,N-dibenzylpentanamide
CID 130162934

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide (CID 81086515) is 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide is CC(CN)CC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is JJCJLIYGJSEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(10-15)9-14(18)16(7-8-17)11-13-5-3-2-4-6-13/h2-6,12,17H,7-11,15H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide?
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 81086515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).