ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C19H27N3O4 — CID 126381979

IUPACethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-25-19(24)14-26-17-10-8-15(9-11-17)12-21-22-18(23)13-20-16-6-4-3-5-7-16/h8-12,16,20H,2-7,13-14H2,1H3,(H,22,23)/b21-12-
InChIKeyHFDQXKXLZZAKIG-MTJSOVHGSA-N
MW361.44 g/mol
LogP2.00
Rot. Bonds9

About ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 126381979) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID126381979
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nameethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-25-19(24)14-26-17-10-8-15(9-11-17)12-21-22-18(23)13-20-16-6-4-3-5-7-16/h8-12,16,20H,2-7,13-14H2,1H3,(H,22,23)/b21-12-
InChIKeyHFDQXKXLZZAKIG-MTJSOVHGSA-N
XLogP2.00
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 41092525
2-(cyclohexylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137094323
N-[(Z)-(3-bromo-4-methylphenyl)methylideneamino]-2-(cyclohexylamino)acetamide
CID 126381594
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 21370822
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 6043138
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 94863500
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833194
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 126381979) is ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(/C=N\NC(=O)CNC2CCCCC2)cc1.
What is the InChIKey of ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is HFDQXKXLZZAKIG-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-25-19(24)14-26-17-10-8-15(9-11-17)12-21-22-18(23)13-20-16-6-4-3-5-7-16/h8-12,16,20H,2-7,13-14H2,1H3,(H,22,23)/b21-12-.
What are the key properties of ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 361.44 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 126381979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).