3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide

C16H27NO2 — CID 123678431

IUPAC3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCCC=CC(C)=CC(=O)NCC1CCCCO1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-9-14(2)12-16(18)17-13-15-10-7-8-11-19-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,17,18)
InChIKeyVOOGTXIUZNWIHQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds7

About 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide

3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 123678431) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
PubChem CID123678431
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCCC=CC(C)=CC(=O)NCC1CCCCO1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-9-14(2)12-16(18)17-13-15-10-7-8-11-19-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,17,18)
InChIKeyVOOGTXIUZNWIHQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.36
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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Related Compounds

6-methyl-2-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,2-dihydropyridine-4-carboxamide
CID 86284995
(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide
CID 58223646
(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]pent-2-enamide
CID 58223662
N-[(1R,2R)-4-ethenyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68344507
(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide
CID 88990980
(2E,4E)-N-(oxolan-2-ylmethyl)deca-2,4-dienamide
CID 88990998
(2E,4E)-N-(oxolan-2-ylmethyl)undeca-2,4-dienamide
CID 88990999
(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 88991033
(2E,4E)-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 88991037
(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991078
(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
CID 88991126
(E)-N-(tetrahydropyran-2-ylmethyl)-2-nonenamide
CID 89749559

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide (CID 123678431) is 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide is CCCCC=CC(C)=CC(=O)NCC1CCCCO1.
What is the InChIKey of 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is VOOGTXIUZNWIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-5-6-9-14(2)12-16(18)17-13-15-10-7-8-11-19-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 265.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 123678431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).