4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide

C19H20N4O4 — CID 3665630

IUPAC4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4/c24-19(21-20-13-16-2-1-3-18(12-16)23(25)26)17-6-4-15(5-7-17)14-22-8-10-27-11-9-22/h1-7,12-13H,8-11,14H2,(H,21,24)
InChIKeyJDMWMTZJRMUQRO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.19
Rot. Bonds6

About 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide

4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 3665630) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
PubChem CID3665630
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H20N4O4/c24-19(21-20-13-16-2-1-3-18(12-16)23(25)26)17-6-4-15(5-7-17)14-22-8-10-27-11-9-22/h1-7,12-13H,8-11,14H2,(H,21,24)
InChIKeyJDMWMTZJRMUQRO-UHFFFAOYSA-N
XLogP2.19
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.19
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-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1361849
N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 126003279
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6253764
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
CID 6073510
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 94838624
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide (CID 3665630) is 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is JDMWMTZJRMUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-19(21-20-13-16-2-1-3-18(12-16)23(25)26)17-6-4-15(5-7-17)14-22-8-10-27-11-9-22/h1-7,12-13H,8-11,14H2,(H,21,24).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide?
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3665630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).