N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide

C14H23NO2 — CID 123546180

IUPACN-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1(C)COC1
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-13(16)15-10-14(2)11-17-12-14/h6-9H,3-5,10-12H2,1-2H3,(H,15,16)
InChIKeySGMGSWWYVZKMFB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds7

About N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide

N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide (PubChem CID 123546180) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
PubChem CID123546180
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1(C)COC1
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-13(16)15-10-14(2)11-17-12-14/h6-9H,3-5,10-12H2,1-2H3,(H,15,16)
InChIKeySGMGSWWYVZKMFB-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide (CID 123546180) is N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide is CCCCC=CC=CC(=O)NCC1(C)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
The InChIKey is SGMGSWWYVZKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-13(16)15-10-14(2)11-17-12-14/h6-9H,3-5,10-12H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide has a molecular weight of 237.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide is sourced from PubChem (CID 123546180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).