N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide

C23H29N5O4 — CID 126003279

IUPACN-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N5O4/c1-3-27(4-2)22-10-9-21(28(30)31)15-20(22)16-24-25-23(29)19-7-5-18(6-8-19)17-26-11-13-32-14-12-26/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,25,29)/b24-16-
InChIKeyMBMURYZNAYCXSE-JLPGSUDCSA-N
MW439.52 g/mol
LogP3.04
Rot. Bonds9

About N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide

N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 126003279) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID126003279
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H29N5O4/c1-3-27(4-2)22-10-9-21(28(30)31)15-20(22)16-24-25-23(29)19-7-5-18(6-8-19)17-26-11-13-32-14-12-26/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,25,29)/b24-16-
InChIKeyMBMURYZNAYCXSE-JLPGSUDCSA-N
XLogP3.04
TPSA100.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[2-(dimethylamino)-5-nitrophenyl]methylideneamino]benzamide
CID 126000791
3-bromo-N-[[2-(diethylamino)-5-nitrophenyl]methylideneamino]benzamide
CID 4052966
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6181128
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126002124
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 1362638
N-(2-chloro-5-nitrophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 38104970
N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 3939730
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 46501939
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol
CID 961055

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide (CID 126003279) is N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide is CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is MBMURYZNAYCXSE-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-3-27(4-2)22-10-9-21(28(30)31)15-20(22)16-24-25-23(29)19-7-5-18(6-8-19)17-26-11-13-32-14-12-26/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,25,29)/b24-16-.
What are the key properties of N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide?
N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 439.52 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 126003279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).