2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide

C18H26N4O5 — CID 7550395

IUPAC2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H26N4O5/c1-3-15(4-2)20-18(23)13-27-19-12-14-5-6-16(17(11-14)22(24)25)21-7-9-26-10-8-21/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,20,23)/b19-12-
InChIKeyURBVDCWGYCMSPN-UNOMPAQXSA-N
MW378.43 g/mol
LogP2.09
Rot. Bonds9

About 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide

2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide (PubChem CID 7550395) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
PubChem CID7550395
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H26N4O5/c1-3-15(4-2)20-18(23)13-27-19-12-14-5-6-16(17(11-14)22(24)25)21-7-9-26-10-8-21/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,20,23)/b19-12-
InChIKeyURBVDCWGYCMSPN-UNOMPAQXSA-N
XLogP2.09
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxyethanone
CID 7550312
(2S)-N-benzyl-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxypropanamide
CID 7550433
methyl 3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 2794875
2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
CID 26675986
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126016119
(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoate
CID 7325851
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 3793255
methyl (E)-3-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-nitrophenyl]prop-2-enoate
CID 55560750
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide (CID 7550395) is 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CO/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
The InChIKey is URBVDCWGYCMSPN-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-3-15(4-2)20-18(23)13-27-19-12-14-5-6-16(17(11-14)22(24)25)21-7-9-26-10-8-21/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,20,23)/b19-12-.
What are the key properties of 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide has a molecular weight of 378.43 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 7550395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).