5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide

C11H22N2O2 — CID 123850172

IUPAC5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
SMILESCNCCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9(14)5-6-10(15)13-8-7-12-4/h12H,5-8H2,1-4H3,(H,13,15)
InChIKeyMVRPGLXHFWCFCP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.72
Rot. Bonds6

About 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide

5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide (PubChem CID 123850172) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
PubChem CID123850172
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
SMILESCNCCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)9(14)5-6-10(15)13-8-7-12-4/h12H,5-8H2,1-4H3,(H,13,15)
InChIKeyMVRPGLXHFWCFCP-UHFFFAOYSA-N
XLogP0.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide
CID 177044189
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
CID 143771941
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
CID 170133551
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide?
The IUPAC name of 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide (CID 123850172) is 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide.
What is the SMILES notation for 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide?
The canonical SMILES for 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide is CNCCNC(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide?
The InChIKey is MVRPGLXHFWCFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)9(14)5-6-10(15)13-8-7-12-4/h12H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide?
5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide has a molecular weight of 214.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide is sourced from PubChem (CID 123850172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).