3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide

C12H23NO2 — CID 53496022

IUPAC3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide
SMILESCOCCC(=O)N[C@H](C)CCC=C(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)6-5-7-11(3)13-12(14)8-9-15-4/h6,11H,5,7-9H2,1-4H3,(H,13,14)/t11-/m1/s1
InChIKeyCKXSQOCKULHGLA-LLVKDONJSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds7

About 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide

3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide (PubChem CID 53496022) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide
PubChem CID53496022
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide
SMILESCOCCC(=O)N[C@H](C)CCC=C(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)6-5-7-11(3)13-12(14)8-9-15-4/h6,11H,5,7-9H2,1-4H3,(H,13,14)/t11-/m1/s1
InChIKeyCKXSQOCKULHGLA-LLVKDONJSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide?
The IUPAC name of 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide (CID 53496022) is 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide is COCCC(=O)N[C@H](C)CCC=C(C)C.
What is the InChIKey of 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide?
The InChIKey is CKXSQOCKULHGLA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)6-5-7-11(3)13-12(14)8-9-15-4/h6,11H,5,7-9H2,1-4H3,(H,13,14)/t11-/m1/s1.
What are the key properties of 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide?
3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide is sourced from PubChem (CID 53496022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).