(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide

C16H27NO2 — CID 88990980

IUPAC(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C(C)=C/C(=O)NCC1CCCO1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-7-9-14(2)12-16(18)17-13-15-10-8-11-19-15/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,17,18)/b9-7+,14-12+
InChIKeyVERDRFLQUYIBMH-MLMLVFRPSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds8

About (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide

(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide (PubChem CID 88990980) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide
PubChem CID88990980
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C(C)=C/C(=O)NCC1CCCO1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-7-9-14(2)12-16(18)17-13-15-10-8-11-19-15/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,17,18)/b9-7+,14-12+
InChIKeyVERDRFLQUYIBMH-MLMLVFRPSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

(5Z,8Z,11Z,14Z)-N-[(oxolan-2-yl)methyl]icosa-5,8,11,14-tetraenamide
CID 10221835
(S,5Z,8Z,11Z,14Z)-N-((tetrahydrofuran-2-yl)methyl)icosa-5,8,11,14-tetraenamide
CID 23625080
(R,5Z,8Z,11Z,14Z)-N-((tetrahydrofuran-2-yl)methyl)icosa-5,8,11,14-tetraenamide
CID 23625079
2-Butenamide, N-tetrahydrofurfuryl-3-methyl-
CID 532090
(2E,4E)-N-(oxolan-2-ylmethyl)deca-2,4,9-trienamide
CID 88990985
(2E,4E)-N-[2-(oxolan-2-yl)ethyl]nona-2,4-dienamide
CID 88990992
(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
CID 88990996
(2E,4E)-N-(oxolan-2-ylmethyl)deca-2,4-dien-9-ynamide
CID 88990997
(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)-N-(oxolan-2-ylmethyl)octa-2,4-dienamide
CID 88991004
(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide
CID 88991031

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide?
The IUPAC name of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide (CID 88990980) is (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide is CCCCC/C=C/C(C)=C/C(=O)NCC1CCCO1.
What is the InChIKey of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide?
The InChIKey is VERDRFLQUYIBMH-MLMLVFRPSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-5-6-7-9-14(2)12-16(18)17-13-15-10-8-11-19-15/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,17,18)/b9-7+,14-12+.
What are the key properties of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide?
(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide has a molecular weight of 265.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)deca-2,4-dienamide is sourced from PubChem (CID 88990980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).