N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide

C21H26N2O4 — CID 135781552

IUPACN-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide
SMILESCCCCCc1ccc(OCC(=O)N/N=C\c2cc(OC)ccc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-3-4-5-6-16-7-9-18(10-8-16)27-15-21(25)23-22-14-17-13-19(26-2)11-12-20(17)24/h7-14,24H,3-6,15H2,1-2H3,(H,23,25)/b22-14-
InChIKeyRXAKCNITJFHFAE-HMAPJEAMSA-N
MW370.45 g/mol
LogP3.66
Rot. Bonds10

About N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide

N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide (PubChem CID 135781552) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide
PubChem CID135781552
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide
SMILESCCCCCc1ccc(OCC(=O)N/N=C\c2cc(OC)ccc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-3-4-5-6-16-7-9-18(10-8-16)27-15-21(25)23-22-14-17-13-19(26-2)11-12-20(17)24/h7-14,24H,3-6,15H2,1-2H3,(H,23,25)/b22-14-
InChIKeyRXAKCNITJFHFAE-HMAPJEAMSA-N
XLogP3.66
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135665062
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 787794
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
[2-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 46501404
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[2-[(2E)-2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135867567
2-(4-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135606578
2-(3,5-dimethylphenoxy)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135614054
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 3684670
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
N-[(E)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]-2-(4-butylphenoxy)acetamide
CID 6874052

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide (CID 135781552) is N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide is CCCCCc1ccc(OCC(=O)N/N=C\c2cc(OC)ccc2O)cc1.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide?
The InChIKey is RXAKCNITJFHFAE-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-4-5-6-16-7-9-18(10-8-16)27-15-21(25)23-22-14-17-13-19(26-2)11-12-20(17)24/h7-14,24H,3-6,15H2,1-2H3,(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide?
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide is sourced from PubChem (CID 135781552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).