(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide

C30H59NO5 — CID 138147669

IUPAC(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC
InChIInChI=1S/C30H59NO5/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(34)30(36)31-26(25-32)29(35)27(33)23-21-19-17-15-12-10-8-6-4-2/h11,13,26-29,32-35H,3-10,12,14-25H2,1-2H3,(H,31,36)/b13-11-
InChIKeyDUSDFVKLYMCCRL-QBFSEMIESA-N
MW513.80 g/mol
LogP5.94
Rot. Bonds26

About (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide

(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide (PubChem CID 138147669) has the molecular formula C30H59NO5 and a molecular weight of 513.80 g/mol. Its IUPAC name is (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide
PubChem CID138147669
Molecular FormulaC30H59NO5
Molecular Weight513.80 g/mol
Exact Mass513.44
IUPAC Name(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC
InChIInChI=1S/C30H59NO5/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(34)30(36)31-26(25-32)29(35)27(33)23-21-19-17-15-12-10-8-6-4-2/h11,13,26-29,32-35H,3-10,12,14-25H2,1-2H3,(H,31,36)/b13-11-
InChIKeyDUSDFVKLYMCCRL-QBFSEMIESA-N
XLogP5.94
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.80
LogP ≤ 55.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-hydroxy-N-(1,3,4-trihydroxytriacontan-2-yl)icos-11-enamide
CID 138151449
(Z)-2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)nonadec-9-enamide
CID 138179224
(Z)-2-hydroxy-N-(1,3,4-trihydroxyheptadecan-2-yl)docos-11-enamide
CID 138162729
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide
CID 162850318
(Z)-2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)icos-11-enamide
CID 138178236
(Z)-2-hydroxy-N-(1,3,4-trihydroxyoctacosan-2-yl)tetracos-11-enamide
CID 138162650
(Z)-2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)octacos-13-enamide
CID 138194620
(Z)-2-hydroxy-N-(1,3,4-trihydroxyheptadecan-2-yl)heptacos-12-enamide
CID 138249739
(Z)-2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)hentriacont-16-enamide
CID 138232769
(Z)-2-hydroxy-N-(1,3,4-trihydroxydocosan-2-yl)tetracos-11-enamide
CID 138151631
(E,2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracos-10-enamide
CID 66561761
(Z)-2-hydroxy-N-(1,3,4-trihydroxyheptadecan-2-yl)tetracos-11-enamide
CID 138118336

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide?
The IUPAC name of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide (CID 138147669) is (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide.
What is the SMILES notation for (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide?
The canonical SMILES for (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide is CCCCC/C=C\CCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC.
What is the InChIKey of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide?
The InChIKey is DUSDFVKLYMCCRL-QBFSEMIESA-N. The full InChI is InChI=1S/C30H59NO5/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(34)30(36)31-26(25-32)29(35)27(33)23-21-19-17-15-12-10-8-6-4-2/h11,13,26-29,32-35H,3-10,12,14-25H2,1-2H3,(H,31,36)/b13-11-.
What are the key properties of (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide?
(Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide has a molecular weight of 513.80 g/mol, XLogP of 5.94, 26 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-N-(1,3,4-trihydroxypentadecan-2-yl)pentadec-9-enamide is sourced from PubChem (CID 138147669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).