N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide

C21H30N4O6 — CID 126018159

IUPACN-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H30N4O6/c1-2-30-19-13-17(14-22-23-20(26)15-24-5-9-28-10-6-24)3-4-18(19)31-16-21(27)25-7-11-29-12-8-25/h3-4,13-14H,2,5-12,15-16H2,1H3,(H,23,26)/b22-14-
InChIKeyGWMYQYZWNJQASE-HMAPJEAMSA-N
MW434.49 g/mol
LogP0.11
Rot. Bonds9

About N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 126018159) has the molecular formula C21H30N4O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID126018159
Molecular FormulaC21H30N4O6
Molecular Weight434.49 g/mol
Exact Mass434.22
IUPAC NameN-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H30N4O6/c1-2-30-19-13-17(14-22-23-20(26)15-24-5-9-28-10-6-24)3-4-18(19)31-16-21(27)25-7-11-29-12-8-25/h3-4,13-14H,2,5-12,15-16H2,1H3,(H,23,26)/b22-14-
InChIKeyGWMYQYZWNJQASE-HMAPJEAMSA-N
XLogP0.11
TPSA101.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide (CID 126018159) is N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is GWMYQYZWNJQASE-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H30N4O6/c1-2-30-19-13-17(14-22-23-20(26)15-24-5-9-28-10-6-24)3-4-18(19)31-16-21(27)25-7-11-29-12-8-25/h3-4,13-14H,2,5-12,15-16H2,1H3,(H,23,26)/b22-14-.
What are the key properties of N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 434.49 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 126018159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).