N,N,5-trimethyl-4-oxohexanamide

C9H17NO2 — CID 20600835

IUPACN,N,5-trimethyl-4-oxohexanamide
SMILESCC(C)C(=O)CCC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)8(11)5-6-9(12)10(3)4/h7H,5-6H2,1-4H3
InChIKeyPADNNAXFQZTCRS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About N,N,5-trimethyl-4-oxohexanamide

N,N,5-trimethyl-4-oxohexanamide (PubChem CID 20600835) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N,5-trimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN,N,5-trimethyl-4-oxohexanamide
PubChem CID20600835
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N,5-trimethyl-4-oxohexanamide
SMILESCC(C)C(=O)CCC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)8(11)5-6-9(12)10(3)4/h7H,5-6H2,1-4H3
InChIKeyPADNNAXFQZTCRS-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(2-oxocyclopentyl)acetamide
CID 71299227
N,N,5-trimethylhexanamide
CID 21054890
N,N,5,5-tetramethyl-4-oxohexanamide
CID 102472535
N,N-Dibutyl-3-methyl-2,4-dioxohexanamide
CID 360660
N,N,2,2-tetramethyl-3-oxocyclobutane-1-carboxamide
CID 12714147
N,N,1,2,2-pentamethyl-3-oxocyclobutane-1-carboxamide
CID 12714149
(3R)-3-ethyl-N,N-dimethylhexanamide
CID 134970180
N,N,3,5,5-pentamethyl-4-oxohexanamide
CID 134973182
4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
CID 138966505
2-fluoro-N,N,2-trimethyl-4-oxopentanamide
CID 159849850
(3R)-N,N,3-trimethylhexanamide
CID 170848594
N,N,N',N',2-pentamethylhexanediamide
CID 12572189

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-oxohexanamide?
The IUPAC name of N,N,5-trimethyl-4-oxohexanamide (CID 20600835) is N,N,5-trimethyl-4-oxohexanamide.
What is the SMILES notation for N,N,5-trimethyl-4-oxohexanamide?
The canonical SMILES for N,N,5-trimethyl-4-oxohexanamide is CC(C)C(=O)CCC(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-4-oxohexanamide?
The InChIKey is PADNNAXFQZTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)8(11)5-6-9(12)10(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N,5-trimethyl-4-oxohexanamide?
N,N,5-trimethyl-4-oxohexanamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-oxohexanamide is sourced from PubChem (CID 20600835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).