N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide

C21H28N4O7 — CID 17202218

IUPACN'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCC2CCCO2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H28N4O7/c1-29-18-11-15(4-5-17(18)32-14-19(26)25-6-9-30-10-7-25)12-23-24-21(28)20(27)22-13-16-3-2-8-31-16/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H,22,27)(H,24,28)/b23-12+
InChIKeyFRNZUJMLXPHIRI-FSJBWODESA-N
MW448.48 g/mol
LogP-0.32
Rot. Bonds8

About N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide

N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 17202218) has the molecular formula C21H28N4O7 and a molecular weight of 448.48 g/mol. Its IUPAC name is N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID17202218
Molecular FormulaC21H28N4O7
Molecular Weight448.48 g/mol
Exact Mass448.20
IUPAC NameN'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCC2CCCO2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H28N4O7/c1-29-18-11-15(4-5-17(18)32-14-19(26)25-6-9-30-10-7-25)12-23-24-21(28)20(27)22-13-16-3-2-8-31-16/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H,22,27)(H,24,28)/b23-12+
InChIKeyFRNZUJMLXPHIRI-FSJBWODESA-N
XLogP-0.32
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N-cyclopropyl-2-oxo-2-[(2E)-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzylidene}hydrazinyl]acetamide
CID 6889014
Oxo-pyrrolidin-1-yl-acetic acid (3,4-dimethoxy-benzylidene)-hydrazide
CID 9591530
tert-butyl (4-{(E)-[(piperidin-1-ylacetyl)hydrazono]methyl}phenoxy)acetate
CID 9621578
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1-(4-hydroxy-3-methoxy-phenyl)-meth-(Z)-ylidene-hydrazinocarbonylmethyl]-amide
CID 135517123
N-(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(1Z)-1-azavinyl)-N'-(oxolan-2-ylmethyl) ethane-1,2-diamide
CID 6244687
Piperidin-1-yl-acetic acid (4-allyloxy-3-methoxy-benzylidene)-hydrazide
CID 9592936
Piperidin-1-yl-acetic acid (3-ethoxy-4-propoxy-benzylidene)-hydrazide
CID 9592955
Azepan-1-yl-oxo-acetic acid (4-allyloxy-3-methoxy-benzylidene)-hydrazide
CID 9593487
N-(1,3-Benzodioxol-5-ylmethyl)-N'-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
CID 9635591
Piperidin-1-yl-acetic acid (4-benzyloxy-3-ethoxy-benzylidene)-hydrazide
CID 9592877

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide (CID 17202218) is N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide is COc1cc(/C=N/NC(=O)C(=O)NCC2CCCO2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is FRNZUJMLXPHIRI-FSJBWODESA-N. The full InChI is InChI=1S/C21H28N4O7/c1-29-18-11-15(4-5-17(18)32-14-19(26)25-6-9-30-10-7-25)12-23-24-21(28)20(27)22-13-16-3-2-8-31-16/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H,22,27)(H,24,28)/b23-12+.
What are the key properties of N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 448.48 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 17202218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).