N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide

C15H20IN3O3 — CID 126007524

IUPACN-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1I
InChIInChI=1S/C15H20IN3O3/c1-2-22-14-4-3-12(9-13(14)16)10-17-18-15(20)11-19-5-7-21-8-6-19/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,20)/b17-10+
InChIKeyNTIIXEHABASYSZ-LICLKQGHSA-N
MW417.25 g/mol
LogP1.47
Rot. Bonds6

About N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 126007524) has the molecular formula C15H20IN3O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID126007524
Molecular FormulaC15H20IN3O3
Molecular Weight417.25 g/mol
Exact Mass417.05
IUPAC NameN-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1I
InChIInChI=1S/C15H20IN3O3/c1-2-22-14-4-3-12(9-13(14)16)10-17-18-15(20)11-19-5-7-21-8-6-19/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,20)/b17-10+
InChIKeyNTIIXEHABASYSZ-LICLKQGHSA-N
XLogP1.47
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-iodo-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126004617
N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126018159
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 3696139
N-[(E)-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533906
N-[(E)-[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001819
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533896
4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride
CID 163329179
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6876349
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124602142

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 126007524) is N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide is CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1I.
What is the InChIKey of N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is NTIIXEHABASYSZ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H20IN3O3/c1-2-22-14-4-3-12(9-13(14)16)10-17-18-15(20)11-19-5-7-21-8-6-19/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 417.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 126007524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).