(5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide

C23H37NO2 — CID 88934028

IUPAC(5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide
SMILESCCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H37NO2/c1-2-3-12-15-21-22(26-21)16-13-10-8-6-4-5-7-9-11-14-17-23(25)24-20-18-19-20/h4,6-7,9-10,13,20-22H,2-3,5,8,11-12,14-19H2,1H3,(H,24,25)/b6-4-,9-7-,13-10-
InChIKeyZOCUOCHMYZYGGZ-ILYOTBPNSA-N
MW359.55 g/mol
LogP5.62
Rot. Bonds15

About (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide

(5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide (PubChem CID 88934028) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide.

Molecular Properties

Compound Name(5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide
PubChem CID88934028
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name(5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide
SMILESCCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H37NO2/c1-2-3-12-15-21-22(26-21)16-13-10-8-6-4-5-7-9-11-14-17-23(25)24-20-18-19-20/h4,6-7,9-10,13,20-22H,2-3,5,8,11-12,14-19H2,1H3,(H,24,25)/b6-4-,9-7-,13-10-
InChIKeyZOCUOCHMYZYGGZ-ILYOTBPNSA-N
XLogP5.62
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455
(5E,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 6380021
methyl (5E,8E,11E)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate
CID 13049246
4-[3-[(2Z,5Z,8Z)-pentadeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
CID 139362465
(5E,8E)-10-[(2S,3R)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
CID 11609450
(Z)-7-[(2S,3R)-3-[(2Z,5E)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid
CID 124511242
(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
CID 5356421
methyl (5Z,8Z)-10-[(2R,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoate
CID 125183159
N-cyclopropylnon-5-enamide
CID 123392162
(7Z,10Z)-12-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]dodeca-7,10-dienoic acid
CID 171042983
[(2S)-2-hydroxy-3-[(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoyl]oxypropyl] heptadecanoate
CID 157003709
[(2S)-3-decanoyloxy-2-hydroxypropyl] (5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate
CID 157002507

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide?
The IUPAC name of (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide (CID 88934028) is (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide.
What is the SMILES notation for (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide?
The canonical SMILES for (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide is CCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1.
What is the InChIKey of (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide?
The InChIKey is ZOCUOCHMYZYGGZ-ILYOTBPNSA-N. The full InChI is InChI=1S/C23H37NO2/c1-2-3-12-15-21-22(26-21)16-13-10-8-6-4-5-7-9-11-14-17-23(25)24-20-18-19-20/h4,6-7,9-10,13,20-22H,2-3,5,8,11-12,14-19H2,1H3,(H,24,25)/b6-4-,9-7-,13-10-.
What are the key properties of (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide?
(5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide has a molecular weight of 359.55 g/mol, XLogP of 5.62, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z)-N-cyclopropyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide is sourced from PubChem (CID 88934028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).