N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide

C28H38ClN3O4 — CID 3688107

IUPACN-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1
InChIInChI=1S/C28H38ClN3O4/c1-3-5-6-7-8-9-10-11-27(33)30-20-28(34)32-31-19-23-14-17-25(26(18-23)35-4-2)36-21-22-12-15-24(29)16-13-22/h12-19H,3-11,20-21H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyVVKQPDQGQZADOQ-UHFFFAOYSA-N
MW516.08 g/mol
LogP6.02
Rot. Bonds17

About N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide

N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide (PubChem CID 3688107) has the molecular formula C28H38ClN3O4 and a molecular weight of 516.08 g/mol. Its IUPAC name is N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide.

Molecular Properties

Compound NameN-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
PubChem CID3688107
Molecular FormulaC28H38ClN3O4
Molecular Weight516.08 g/mol
Exact Mass515.26
IUPAC NameN-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1
InChIInChI=1S/C28H38ClN3O4/c1-3-5-6-7-8-9-10-11-27(33)30-20-28(34)32-31-19-23-14-17-25(26(18-23)35-4-2)36-21-22-12-15-24(29)16-13-22/h12-19H,3-11,20-21H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyVVKQPDQGQZADOQ-UHFFFAOYSA-N
XLogP6.02
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.08
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5225840
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 3859539
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
N-[2-[(2Z)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 6247391
2-(4-butylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 45055047
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
[2-ethoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3667299
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(cyclohexylamino)acetamide
CID 126380848
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3286053
4-butoxy-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 45054795
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
CID 3797207
N-tert-butyl-N'-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 3939298

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The IUPAC name of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide (CID 3688107) is N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide.
What is the SMILES notation for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The canonical SMILES for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide is CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1.
What is the InChIKey of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The InChIKey is VVKQPDQGQZADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN3O4/c1-3-5-6-7-8-9-10-11-27(33)30-20-28(34)32-31-19-23-14-17-25(26(18-23)35-4-2)36-21-22-12-15-24(29)16-13-22/h12-19H,3-11,20-21H2,1-2H3,(H,30,33)(H,32,34).
What are the key properties of N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide?
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide has a molecular weight of 516.08 g/mol, XLogP of 6.02, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide is sourced from PubChem (CID 3688107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).