N-methoxy-N,3,3-trimethylhexanamide

C10H21NO2 — CID 123191173

IUPACN-methoxy-N,3,3-trimethylhexanamide
SMILESCCCC(C)(C)CC(=O)N(C)OC
InChIInChI=1S/C10H21NO2/c1-6-7-10(2,3)8-9(12)11(4)13-5/h6-8H2,1-5H3
InChIKeyWQHUSBSCMBGNQI-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.22
Rot. Bonds5

About N-methoxy-N,3,3-trimethylhexanamide

N-methoxy-N,3,3-trimethylhexanamide (PubChem CID 123191173) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-methoxy-N,3,3-trimethylhexanamide.

Molecular Properties

Compound NameN-methoxy-N,3,3-trimethylhexanamide
PubChem CID123191173
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-methoxy-N,3,3-trimethylhexanamide
SMILESCCCC(C)(C)CC(=O)N(C)OC
InChIInChI=1S/C10H21NO2/c1-6-7-10(2,3)8-9(12)11(4)13-5/h6-8H2,1-5H3
InChIKeyWQHUSBSCMBGNQI-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3,3-trimethylhexanamide?
The IUPAC name of N-methoxy-N,3,3-trimethylhexanamide (CID 123191173) is N-methoxy-N,3,3-trimethylhexanamide.
What is the SMILES notation for N-methoxy-N,3,3-trimethylhexanamide?
The canonical SMILES for N-methoxy-N,3,3-trimethylhexanamide is CCCC(C)(C)CC(=O)N(C)OC.
What is the InChIKey of N-methoxy-N,3,3-trimethylhexanamide?
The InChIKey is WQHUSBSCMBGNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-7-10(2,3)8-9(12)11(4)13-5/h6-8H2,1-5H3.
What are the key properties of N-methoxy-N,3,3-trimethylhexanamide?
N-methoxy-N,3,3-trimethylhexanamide has a molecular weight of 187.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3,3-trimethylhexanamide is sourced from PubChem (CID 123191173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).