(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide

C18H29NO — CID 163042942

IUPAC(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
SMILESCC/C=C/C/C=C\CC/C=C/C=C/C(=O)N[C@@H](C)CC
InChIInChI=1S/C18H29NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h6-7,9-10,13-17H,4-5,8,11-12H2,1-3H3,(H,19,20)/b7-6+,10-9-,14-13+,16-15+/t17-/m0/s1
InChIKeyASRZUUIQEMYXLQ-BQRXGMAVSA-N
MW275.44 g/mol
LogP4.71
Rot. Bonds10

About (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide

(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide (PubChem CID 163042942) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
PubChem CID163042942
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
SMILESCC/C=C/C/C=C\CC/C=C/C=C/C(=O)N[C@@H](C)CC
InChIInChI=1S/C18H29NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h6-7,9-10,13-17H,4-5,8,11-12H2,1-3H3,(H,19,20)/b7-6+,10-9-,14-13+,16-15+/t17-/m0/s1
InChIKeyASRZUUIQEMYXLQ-BQRXGMAVSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,8Z,11Z)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
CID 163042941
(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
CID 87311086
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
(10Z,13Z,16Z,19Z)-docosa-2,4,6,10,13,16,19-heptaenoic acid
CID 87987509
docosa-2,4,7,9,13,16,19-heptaenoic acid
CID 173077864
ethyl (2E,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate
CID 25010677
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
methyl pentadeca-2,4,9,12-tetraenoate
CID 71418279
(2E,4E,12E)-15-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]pentadeca-2,4,12-trienamide
CID 163067839
docosa-4,8,10,13,16,19-hexaenoic acid
CID 91377842
deca-2,4,7-trienoic acid
CID 54400863
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide?
The IUPAC name of (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide (CID 163042942) is (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide.
What is the SMILES notation for (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide?
The canonical SMILES for (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide is CC/C=C/C/C=C\CC/C=C/C=C/C(=O)N[C@@H](C)CC.
What is the InChIKey of (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide?
The InChIKey is ASRZUUIQEMYXLQ-BQRXGMAVSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h6-7,9-10,13-17H,4-5,8,11-12H2,1-3H3,(H,19,20)/b7-6+,10-9-,14-13+,16-15+/t17-/m0/s1.
What are the key properties of (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide?
(2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide has a molecular weight of 275.44 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,11E)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide is sourced from PubChem (CID 163042942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).