N,N,7,7-tetramethyl-6-oxooctanamide

C12H23NO2 — CID 134452672

IUPACN,N,7,7-tetramethyl-6-oxooctanamide
SMILESCN(C)C(=O)CCCCC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)10(14)8-6-7-9-11(15)13(4)5/h6-9H2,1-5H3
InChIKeyTWWALDGQSDUIMZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds5

About N,N,7,7-tetramethyl-6-oxooctanamide

N,N,7,7-tetramethyl-6-oxooctanamide (PubChem CID 134452672) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N,7,7-tetramethyl-6-oxooctanamide.

Molecular Properties

Compound NameN,N,7,7-tetramethyl-6-oxooctanamide
PubChem CID134452672
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN,N,7,7-tetramethyl-6-oxooctanamide
SMILESCN(C)C(=O)CCCCC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)10(14)8-6-7-9-11(15)13(4)5/h6-9H2,1-5H3
InChIKeyTWWALDGQSDUIMZ-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,7,7-tetramethyl-6-oxooctanamide?
The IUPAC name of N,N,7,7-tetramethyl-6-oxooctanamide (CID 134452672) is N,N,7,7-tetramethyl-6-oxooctanamide.
What is the SMILES notation for N,N,7,7-tetramethyl-6-oxooctanamide?
The canonical SMILES for N,N,7,7-tetramethyl-6-oxooctanamide is CN(C)C(=O)CCCCC(=O)C(C)(C)C.
What is the InChIKey of N,N,7,7-tetramethyl-6-oxooctanamide?
The InChIKey is TWWALDGQSDUIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)10(14)8-6-7-9-11(15)13(4)5/h6-9H2,1-5H3.
What are the key properties of N,N,7,7-tetramethyl-6-oxooctanamide?
N,N,7,7-tetramethyl-6-oxooctanamide has a molecular weight of 213.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7,7-tetramethyl-6-oxooctanamide is sourced from PubChem (CID 134452672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).