(3S)-N-methoxy-N,3,7-trimethyloctanamide

C12H25NO2 — CID 101241299

IUPAC(3S)-N-methoxy-N,3,7-trimethyloctanamide
SMILESCON(C)C(=O)C[C@@H](C)CCCC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)7-6-8-11(3)9-12(14)13(4)15-5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyBIYLRCANSHFZAY-NSHDSACASA-N
MW215.34 g/mol
LogP2.86
Rot. Bonds7

About (3S)-N-methoxy-N,3,7-trimethyloctanamide

(3S)-N-methoxy-N,3,7-trimethyloctanamide (PubChem CID 101241299) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3S)-N-methoxy-N,3,7-trimethyloctanamide.

Molecular Properties

Compound Name(3S)-N-methoxy-N,3,7-trimethyloctanamide
PubChem CID101241299
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3S)-N-methoxy-N,3,7-trimethyloctanamide
SMILESCON(C)C(=O)C[C@@H](C)CCCC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)7-6-8-11(3)9-12(14)13(4)15-5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyBIYLRCANSHFZAY-NSHDSACASA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.86
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 (3S)-N-methoxy-N,3,7-trimethyloctanamide?
The IUPAC name of (3S)-N-methoxy-N,3,7-trimethyloctanamide (CID 101241299) is (3S)-N-methoxy-N,3,7-trimethyloctanamide.
What is the SMILES notation for (3S)-N-methoxy-N,3,7-trimethyloctanamide?
The canonical SMILES for (3S)-N-methoxy-N,3,7-trimethyloctanamide is CON(C)C(=O)C[C@@H](C)CCCC(C)C.
What is the InChIKey of (3S)-N-methoxy-N,3,7-trimethyloctanamide?
The InChIKey is BIYLRCANSHFZAY-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-6-8-11(3)9-12(14)13(4)15-5/h10-11H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-N-methoxy-N,3,7-trimethyloctanamide?
(3S)-N-methoxy-N,3,7-trimethyloctanamide has a molecular weight of 215.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methoxy-N,3,7-trimethyloctanamide is sourced from PubChem (CID 101241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).