3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen

C9H24N2O2 — CID 145466676

IUPAC3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen
SMILESCC.CCCC(N)C(=O)C(=O)NC.[H][H].[H][H]
InChIInChI=1S/C7H14N2O2.C2H6.2H2/c1-3-4-5(8)6(10)7(11)9-2;1-2;;/h5H,3-4,8H2,1-2H3,(H,9,11);1-2H3;2*1H
InChIKeyWGXFGIPQUMZNPN-UHFFFAOYSA-N
MW192.30 g/mol
LogP0.95
Rot. Bonds4

About 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen

3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen (PubChem CID 145466676) has the molecular formula C9H24N2O2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen
PubChem CID145466676
Molecular FormulaC9H24N2O2
Molecular Weight192.30 g/mol
Exact Mass192.18
IUPAC Name3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen
SMILESCC.CCCC(N)C(=O)C(=O)NC.[H][H].[H][H]
InChIInChI=1S/C7H14N2O2.C2H6.2H2/c1-3-4-5(8)6(10)7(11)9-2;1-2;;/h5H,3-4,8H2,1-2H3,(H,9,11);1-2H3;2*1H
InChIKeyWGXFGIPQUMZNPN-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 50.95
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-N-methyl-2-oxohexanamide
CID 89245081
3-amino-2-oxo-N-propylhexanamide
CID 88906277
3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane
CID 143418717
ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide
CID 143355170
3-amino-N-(furan-2-ylmethyl)-2-oxohexanamide;ethane;molecular hydrogen
CID 145466397
methyl 2-aminopentanoate
CID 533890
4-aminoheptan-3-one;ethane
CID 143359235
2-amino-N'-methylpentanehydrazide
CID 116849316
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
CID 145466111
4-amino-2,2-dimethylheptan-3-one
CID 116554671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen?
The IUPAC name of 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen (CID 145466676) is 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen.
What is the SMILES notation for 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen?
The canonical SMILES for 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen is CC.CCCC(N)C(=O)C(=O)NC.[H][H].[H][H].
What is the InChIKey of 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen?
The InChIKey is WGXFGIPQUMZNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2H6.2H2/c1-3-4-5(8)6(10)7(11)9-2;1-2;;/h5H,3-4,8H2,1-2H3,(H,9,11);1-2H3;2*1H.
What are the key properties of 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen?
3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen has a molecular weight of 192.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen is sourced from PubChem (CID 145466676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).