N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide

C19H22N2O4 — CID 9073708

IUPACN-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
SMILESCCOc1cc(/C=N\NC(C)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-23-19-13-16(14-20-21-15(2)22)9-10-18(19)25-12-11-24-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,22)/b20-14-
InChIKeyZMGHFBQXELLDNY-ZHZULCJRSA-N
MW342.40 g/mol
LogP3.01
Rot. Bonds9

About N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide

N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide (PubChem CID 9073708) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
PubChem CID9073708
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
SMILESCCOc1cc(/C=N\NC(C)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-23-19-13-16(14-20-21-15(2)22)9-10-18(19)25-12-11-24-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,22)/b20-14-
InChIKeyZMGHFBQXELLDNY-ZHZULCJRSA-N
XLogP3.01
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
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-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-[[3-ethoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylideneamino]acetamide
CID 3838795
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5498937
[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
CID 5036954
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 4116439
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
N-[(Z)-[5-bromo-2-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 6262095

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide (CID 9073708) is N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide is CCOc1cc(/C=N\NC(C)=O)ccc1OCCOc1ccccc1.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is ZMGHFBQXELLDNY-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-23-19-13-16(14-20-21-15(2)22)9-10-18(19)25-12-11-24-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,22)/b20-14-.
What are the key properties of N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide?
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 9073708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).