(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide

C25H39NO2 — CID 163368698

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C25H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26(4)23(2)24(3)27/h6-7,9-10,12-13,15-16,18-19,23H,5,8,11,14,17,20-22H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyPWZWURFSVHXDGU-WMPRHZDHSA-N
MW385.59 g/mol
LogP6.34
Rot. Bonds15

About (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide (PubChem CID 163368698) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide
PubChem CID163368698
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C25H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26(4)23(2)24(3)27/h6-7,9-10,12-13,15-16,18-19,23H,5,8,11,14,17,20-22H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyPWZWURFSVHXDGU-WMPRHZDHSA-N
XLogP6.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide with MolForge

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Launch Full Analysis

Related Compounds

potassium 2-[methyl-[(E)-oct-5-enoyl]amino]propanoate
CID 102117343
(7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-7,10,13,16,19-pentaen-3-one;(6Z,9Z,12Z,15Z,18Z,21Z)-2-methyltetracosa-6,9,12,15,18,21-hexaen-3-one
CID 159107554
(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
CID 122698321
icosa-5,8,11,14,17-pentaenamide
CID 160981167
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
N,N-dimethylnon-6-enamide
CID 76781952
ethyl (5Z,8E,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 172866485
ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
3-methylbutan-2-yl (5Z,8Z,11Z,14Z,17Z,20Z)-tricosa-5,8,11,14,17,20-hexaenoate
CID 140882591
(Z)-non-6-en-2-one
CID 11105450
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
(E)-N-[1-[methyl-[2-[[(E)-oct-5-enoyl]amino]propyl]amino]propan-2-yl]oct-5-enamide
CID 102116531

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide (CID 163368698) is (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C(C)C(C)=O.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide?
The InChIKey is PWZWURFSVHXDGU-WMPRHZDHSA-N. The full InChI is InChI=1S/C25H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26(4)23(2)24(3)27/h6-7,9-10,12-13,15-16,18-19,23H,5,8,11,14,17,20-22H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide has a molecular weight of 385.59 g/mol, XLogP of 6.34, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 163368698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).