3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane

C13H28N2O2 — CID 143418717

IUPAC3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane
SMILESCC.CCCC(N)C(=O)C(=O)NCCC(C)C
InChIInChI=1S/C11H22N2O2.C2H6/c1-4-5-9(12)10(14)11(15)13-7-6-8(2)3;1-2/h8-9H,4-7,12H2,1-3H3,(H,13,15);1-2H3
InChIKeyYYDJNOVWJZUYNP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.87
Rot. Bonds7

About 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane

3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane (PubChem CID 143418717) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane.

Molecular Properties

Compound Name3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane
PubChem CID143418717
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane
SMILESCC.CCCC(N)C(=O)C(=O)NCCC(C)C
InChIInChI=1S/C11H22N2O2.C2H6/c1-4-5-9(12)10(14)11(15)13-7-6-8(2)3;1-2/h8-9H,4-7,12H2,1-3H3,(H,13,15);1-2H3
InChIKeyYYDJNOVWJZUYNP-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-oxo-N-propylhexanamide
CID 88906277
3-amino-N-methyl-2-oxohexanamide
CID 89245081
3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen
CID 145466676
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
2-amino-N-propylpentanamide
CID 43649977
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
1,3-bis(3-methylbutyl)urea
CID 22563958
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen
CID 145466397

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane?
The IUPAC name of 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane (CID 143418717) is 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane.
What is the SMILES notation for 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane?
The canonical SMILES for 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane is CC.CCCC(N)C(=O)C(=O)NCCC(C)C.
What is the InChIKey of 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane?
The InChIKey is YYDJNOVWJZUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-4-5-9(12)10(14)11(15)13-7-6-8(2)3;1-2/h8-9H,4-7,12H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane?
3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane has a molecular weight of 244.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane is sourced from PubChem (CID 143418717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).