N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

C21H27N3O3 — CID 6066854

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)18-13-11-17(12-14-18)15-22-23-21(25)16-27-20-10-8-7-9-19(20)26-6-3/h7-15H,4-6,16H2,1-3H3,(H,23,25)/b22-15-
InChIKeyIAOFWIXINCBUDY-JCMHNJIXSA-N
MW369.47 g/mol
LogP3.46
Rot. Bonds10

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 6066854) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
PubChem CID6066854
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)18-13-11-17(12-14-18)15-22-23-21(25)16-27-20-10-8-7-9-19(20)26-6-3/h7-15H,4-6,16H2,1-3H3,(H,23,25)/b22-15-
InChIKeyIAOFWIXINCBUDY-JCMHNJIXSA-N
XLogP3.46
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 41271374
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991602
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
2-(2-ethoxyphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 19189958
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6910799
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 126142995
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (CID 6066854) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)N/N=C\c1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is IAOFWIXINCBUDY-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-24(5-2)18-13-11-17(12-14-18)15-22-23-21(25)16-27-20-10-8-7-9-19(20)26-6-3/h7-15H,4-6,16H2,1-3H3,(H,23,25)/b22-15-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 6066854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).