3-amino-N-methyl-2-oxohexanamide

C7H14N2O2 — CID 89245081

IUPAC3-amino-N-methyl-2-oxohexanamide
SMILESCCCC(N)C(=O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-4-5(8)6(10)7(11)9-2/h5H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyAPIPTWOTJGQKIF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.57
Rot. Bonds4

About 3-amino-N-methyl-2-oxohexanamide

3-amino-N-methyl-2-oxohexanamide (PubChem CID 89245081) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-amino-N-methyl-2-oxohexanamide.

Molecular Properties

Compound Name3-amino-N-methyl-2-oxohexanamide
PubChem CID89245081
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-amino-N-methyl-2-oxohexanamide
SMILESCCCC(N)C(=O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-4-5(8)6(10)7(11)9-2/h5H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyAPIPTWOTJGQKIF-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.57
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;ethane;molecular hydrogen
CID 145466676
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
methyl 2-aminopentanoate
CID 533890
2-amino-N'-methylpentanehydrazide
CID 116849316
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
4-amino-2,2-dimethylheptan-3-one
CID 116554671
(2R)-2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pentanamide
CID 103795688
2-amino-N-cyanopentanamide
CID 79195129
2-amino-N-propylpentanamide
CID 43649977

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-2-oxohexanamide?
The IUPAC name of 3-amino-N-methyl-2-oxohexanamide (CID 89245081) is 3-amino-N-methyl-2-oxohexanamide.
What is the SMILES notation for 3-amino-N-methyl-2-oxohexanamide?
The canonical SMILES for 3-amino-N-methyl-2-oxohexanamide is CCCC(N)C(=O)C(=O)NC.
What is the InChIKey of 3-amino-N-methyl-2-oxohexanamide?
The InChIKey is APIPTWOTJGQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-5(8)6(10)7(11)9-2/h5H,3-4,8H2,1-2H3,(H,9,11).
What are the key properties of 3-amino-N-methyl-2-oxohexanamide?
3-amino-N-methyl-2-oxohexanamide has a molecular weight of 158.20 g/mol, XLogP of -0.57, 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 is sourced from PubChem (CID 89245081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).