(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide

C26H43NO4 — CID 66562707

IUPAC(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C26H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27(30)22-23-19-20-24(28)25(21-23)31-2/h10-11,19-21,28,30H,3-9,12-18,22H2,1-2H3/b11-10-
InChIKeyCCJBZOGAXOHBTF-KHPPLWFESA-N
MW433.63 g/mol
LogP7.16
Rot. Bonds18

About (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide

(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide (PubChem CID 66562707) has the molecular formula C26H43NO4 and a molecular weight of 433.63 g/mol. Its IUPAC name is (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
PubChem CID66562707
Molecular FormulaC26H43NO4
Molecular Weight433.63 g/mol
Exact Mass433.32
IUPAC Name(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C26H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27(30)22-23-19-20-24(28)25(21-23)31-2/h10-11,19-21,28,30H,3-9,12-18,22H2,1-2H3/b11-10-
InChIKeyCCJBZOGAXOHBTF-KHPPLWFESA-N
XLogP7.16
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate
CID 66562801
1-(4-hydroxy-3-methoxyphenyl)nonadec-10-en-1-one
CID 68578323
[(4-hydroxy-3-methoxyphenyl)methylamino] icosa-5,8,11,14-tetraenoate
CID 174958376
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 57250205
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10027004
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508

Frequently Asked Questions

What is the IUPAC name of (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide?
The IUPAC name of (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide (CID 66562707) is (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide?
The InChIKey is CCJBZOGAXOHBTF-KHPPLWFESA-N. The full InChI is InChI=1S/C26H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27(30)22-23-19-20-24(28)25(21-23)31-2/h10-11,19-21,28,30H,3-9,12-18,22H2,1-2H3/b11-10-.
What are the key properties of (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide?
(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide has a molecular weight of 433.63 g/mol, XLogP of 7.16, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide is sourced from PubChem (CID 66562707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).