N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide

C17H22N4O4 — CID 3696139

IUPACN-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCC#N
InChIInChI=1S/C17H22N4O4/c1-2-24-16-11-14(3-4-15(16)25-8-5-18)12-19-20-17(22)13-21-6-9-23-10-7-21/h3-4,11-12H,2,6-10,13H2,1H3,(H,20,22)
InChIKeyACMSVGOSPWKUPG-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.77
Rot. Bonds8

About N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide

N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 3696139) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID3696139
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCC#N
InChIInChI=1S/C17H22N4O4/c1-2-24-16-11-14(3-4-15(16)25-8-5-18)12-19-20-17(22)13-21-6-9-23-10-7-21/h3-4,11-12H,2,6-10,13H2,1H3,(H,20,22)
InChIKeyACMSVGOSPWKUPG-UHFFFAOYSA-N
XLogP0.77
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126018159
N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126007524
4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride
CID 163329179
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 3826307
N-[(E)-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533906
N-[(E)-[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 39366622
2-[2-iodo-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126004617
N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6876349
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide
CID 3293979
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533896

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide (CID 3696139) is N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide is CCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCC#N.
What is the InChIKey of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is ACMSVGOSPWKUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-2-24-16-11-14(3-4-15(16)25-8-5-18)12-19-20-17(22)13-21-6-9-23-10-7-21/h3-4,11-12H,2,6-10,13H2,1H3,(H,20,22).
What are the key properties of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 346.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3696139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).