N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide

C19H20N4O4 — CID 3959978

IUPACN-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4/c1-14(15-2-6-17(7-3-15)22-10-12-27-13-11-22)20-21-19(24)16-4-8-18(9-5-16)23(25)26/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyZVEZXKJYOAQPOQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide

N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide (PubChem CID 3959978) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide
PubChem CID3959978
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4/c1-14(15-2-6-17(7-3-15)22-10-12-27-13-11-22)20-21-19(24)16-4-8-18(9-5-16)23(25)26/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyZVEZXKJYOAQPOQ-UHFFFAOYSA-N
XLogP2.59
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
4-(diethylamino)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 7929088
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 5035188
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
2,5-dichloro-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6249278
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6265523
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide (CID 3959978) is N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide is CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide?
The InChIKey is ZVEZXKJYOAQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-14(15-2-6-17(7-3-15)22-10-12-27-13-11-22)20-21-19(24)16-4-8-18(9-5-16)23(25)26/h2-9H,10-13H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide?
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide has a molecular weight of 368.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 3959978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).