N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

C20H20N4O5 — CID 136690328

IUPACN'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O5/c25-15-7-5-14(6-8-15)13-21-23-19(27)18(26)22-17-4-2-1-3-16(17)20(28)24-9-11-29-12-10-24/h1-8,13,25H,9-12H2,(H,22,26)(H,23,27)/b21-13-
InChIKeyYCVVWEHMDXGYLV-BKUYFWCQSA-N
MW396.40 g/mol
LogP0.95
Rot. Bonds4

About N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (PubChem CID 136690328) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
PubChem CID136690328
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O5/c25-15-7-5-14(6-8-15)13-21-23-19(27)18(26)22-17-4-2-1-3-16(17)20(28)24-9-11-29-12-10-24/h1-8,13,25H,9-12H2,(H,22,26)(H,23,27)/b21-13-
InChIKeyYCVVWEHMDXGYLV-BKUYFWCQSA-N
XLogP0.95
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 6106405
N'-[(2-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 4559649
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 3418845
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690284
N'-[(Z)-furan-2-ylmethylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 6027752
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6018951
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N'-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126157320
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The IUPAC name of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (CID 136690328) is N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.
What is the SMILES notation for N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The canonical SMILES for N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is O=C(N/N=C\c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The InChIKey is YCVVWEHMDXGYLV-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H20N4O5/c25-15-7-5-14(6-8-15)13-21-23-19(27)18(26)22-17-4-2-1-3-16(17)20(28)24-9-11-29-12-10-24/h1-8,13,25H,9-12H2,(H,22,26)(H,23,27)/b21-13-.
What are the key properties of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide has a molecular weight of 396.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is sourced from PubChem (CID 136690328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).