(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide

C23H35NO3 — CID 6439799

IUPAC(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
SMILESC/C=C(\C)C(O)C(C)/C=C(C)/C=C/C=C/C=C/C=C(\C)C(=O)NC(C)CO
InChIInChI=1S/C23H35NO3/c1-7-18(3)22(26)20(5)15-17(2)13-11-9-8-10-12-14-19(4)23(27)24-21(6)16-25/h7-15,20-22,25-26H,16H2,1-6H3,(H,24,27)/b9-8+,12-10+,13-11+,17-15+,18-7+,19-14+
InChIKeySJFXXCHPVOUCOT-NNUNTBLTSA-N
MW373.54 g/mol
LogP4.01
Rot. Bonds10

About (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide

(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide (PubChem CID 6439799) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
PubChem CID6439799
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
SMILESC/C=C(\C)C(O)C(C)/C=C(C)/C=C/C=C/C=C/C=C(\C)C(=O)NC(C)CO
InChIInChI=1S/C23H35NO3/c1-7-18(3)22(26)20(5)15-17(2)13-11-9-8-10-12-14-19(4)23(27)24-21(6)16-25/h7-15,20-22,25-26H,16H2,1-6H3,(H,24,27)/b9-8+,12-10+,13-11+,17-15+,18-7+,19-14+
InChIKeySJFXXCHPVOUCOT-NNUNTBLTSA-N
XLogP4.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,6Z,8E,10E,12R,13R,14E)-13-Hydroxy-N-((1S)-2-hydroxy-1-methylethyl)-2,10,12,14,16-pentamethyl-2,4,6,8,10,14-heptadecahexaenamide
CID 5282085
9,10-Dihydroxy-7,15-dimethyl-20-(2-hexenyl)azacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 6439426
(3E,5E,7E,9S,10R,11Z,13E,15E,17E,20R)-9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-octa-2,4-dienyl]-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 132559494
(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 71720071
Myxalamide A
CID 6440913
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-10-hydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127029842
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127034349
Heronamide F
CID 76310274
BE 14106
CID 10387608
2,4,6,8,10,14-Heptadecahexaenamide, 13-hydroxy-N-(2-hydroxy-1-methylethyl)-2,10,12,14-tetramethyl-
CID 6439800
Desacetyllankacyclinol A
CID 6445919
(2E,4E,6Z,8E,10E,12R,13R,14E)-13-Hydroxy-N-((1S)-2-hydroxy-1-methylethyl)-2,10,12,14-tetramethyl-2,4,6,8,10,14-hexadecahexaenamide
CID 11954002

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
The IUPAC name of (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide (CID 6439799) is (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide.
What is the SMILES notation for (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
The canonical SMILES for (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide is C/C=C(\C)C(O)C(C)/C=C(C)/C=C/C=C/C=C/C=C(\C)C(=O)NC(C)CO.
What is the InChIKey of (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
The InChIKey is SJFXXCHPVOUCOT-NNUNTBLTSA-N. The full InChI is InChI=1S/C23H35NO3/c1-7-18(3)22(26)20(5)15-17(2)13-11-9-8-10-12-14-19(4)23(27)24-21(6)16-25/h7-15,20-22,25-26H,16H2,1-6H3,(H,24,27)/b9-8+,12-10+,13-11+,17-15+,18-7+,19-14+.
What are the key properties of (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide has a molecular weight of 373.54 g/mol, XLogP of 4.01, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide is sourced from PubChem (CID 6439799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).