(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one

C23H37NO — CID 158915698

IUPAC(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCN
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22,24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeySJBSCQJKUJIZFD-JLNKQSITSA-N
MW343.56 g/mol
LogP6.22
Rot. Bonds16

About (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one

(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one (PubChem CID 158915698) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one.

Molecular Properties

Compound Name(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
PubChem CID158915698
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCN
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22,24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeySJBSCQJKUJIZFD-JLNKQSITSA-N
XLogP6.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.22
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'}

Analyze (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one with MolForge

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Related Compounds

(6Z,9Z,12Z,15Z,18Z,21Z)-1-aminotetracosa-6,9,12,15,18,21-hexaen-4-one
CID 157366547
icosa-5,8,11,14,17-pentaenamide
CID 160981167
2-aminoacetic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CID 42605524
(5Z,8Z,11Z,14Z,17Z)-N-(2-aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
ethyl (5Z,8E,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 172866485
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;ethane-1,2-diamine
CID 72946336
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one?
The IUPAC name of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one (CID 158915698) is (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one.
What is the SMILES notation for (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one?
The canonical SMILES for (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCN.
What is the InChIKey of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one?
The InChIKey is SJBSCQJKUJIZFD-JLNKQSITSA-N. The full InChI is InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22,24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one?
(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one has a molecular weight of 343.56 g/mol, XLogP of 6.22, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one is sourced from PubChem (CID 158915698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).