N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

C17H21F3N4O3 — CID 126182261

IUPACN-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)14-5-2-1-4-13(14)12-22-23-16(26)15(25)21-6-3-7-24-8-10-27-11-9-24/h1-2,4-5,12H,3,6-11H2,(H,21,25)(H,23,26)/b22-12-
InChIKeyWLLGXHCNRKXIKE-UUYOSTAYSA-N
MW386.37 g/mol
LogP0.99
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 126182261) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID126182261
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)14-5-2-1-4-13(14)12-22-23-16(26)15(25)21-6-3-7-24-8-10-27-11-9-24/h1-2,4-5,12H,3,6-11H2,(H,21,25)(H,23,26)/b22-12-
InChIKeyWLLGXHCNRKXIKE-UUYOSTAYSA-N
XLogP0.99
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-(3-morpholin-4-ylpropyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 9411411
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71966857
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 94848692
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2402954
N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 5171028

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 126182261) is N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is O=C(NCCCN1CCOCC1)C(=O)N/N=C\c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is WLLGXHCNRKXIKE-UUYOSTAYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-17(19,20)14-5-2-1-4-13(14)12-22-23-16(26)15(25)21-6-3-7-24-8-10-27-11-9-24/h1-2,4-5,12H,3,6-11H2,(H,21,25)(H,23,26)/b22-12-.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 386.37 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126182261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).