(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one

C24H41NO2 — CID 162747154

IUPAC(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one
SMILESCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)C(O)CN
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24(27)22-25/h14-21,24,27H,2-13,22,25H2,1H3/b15-14+,17-16+,19-18+,21-20+
InChIKeyBWVILEDUVPUTSY-QQZRBXIRSA-N
MW375.60 g/mol
LogP5.80
Rot. Bonds18

About (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one

(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one (PubChem CID 162747154) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one.

Molecular Properties

Compound Name(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one
PubChem CID162747154
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one
SMILESCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)C(O)CN
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24(27)22-25/h14-21,24,27H,2-13,22,25H2,1H3/b15-14+,17-16+,19-18+,21-20+
InChIKeyBWVILEDUVPUTSY-QQZRBXIRSA-N
XLogP5.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 57133627
(5E,7E,9E)-1,2,3-trihydroxytricosa-5,7,9-trien-4-one
CID 18679071
1,2,3-trihydroxypentacosa-5,7,9,11,13,15-hexaen-4-one
CID 77146427
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
pentadeca-3,5,7-trien-2-one
CID 91106763
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
heptadeca-2,4,6-trienoic acid
CID 54182900
icosa-2,4-dienamide
CID 123364114
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one?
The IUPAC name of (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one (CID 162747154) is (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one.
What is the SMILES notation for (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one?
The canonical SMILES for (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one is CCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)C(O)CN.
What is the InChIKey of (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one?
The InChIKey is BWVILEDUVPUTSY-QQZRBXIRSA-N. The full InChI is InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24(27)22-25/h14-21,24,27H,2-13,22,25H2,1H3/b15-14+,17-16+,19-18+,21-20+.
What are the key properties of (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one?
(4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one has a molecular weight of 375.60 g/mol, XLogP of 5.80, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E,10E)-1-amino-2-hydroxytetracosa-4,6,8,10-tetraen-3-one is sourced from PubChem (CID 162747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).