4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide

C32H36N6O4 — CID 98123916

IUPAC4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(/C=N\NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C32H36N6O4/c39-31(29-9-5-27(6-10-29)23-37-13-17-41-18-14-37)35-33-21-25-1-2-26(4-3-25)22-34-36-32(40)30-11-7-28(8-12-30)24-38-15-19-42-20-16-38/h1-12,21-22H,13-20,23-24H2,(H,35,39)(H,36,40)/b33-21-,34-22-
InChIKeyLTNHYXCZCIWQKD-YWQXDYITSA-N
MW568.68 g/mol
LogP2.88
Rot. Bonds10

About 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide

4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide (PubChem CID 98123916) has the molecular formula C32H36N6O4 and a molecular weight of 568.68 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
PubChem CID98123916
Molecular FormulaC32H36N6O4
Molecular Weight568.68 g/mol
Exact Mass568.28
IUPAC Name4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(/C=N\NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C32H36N6O4/c39-31(29-9-5-27(6-10-29)23-37-13-17-41-18-14-37)35-33-21-25-1-2-26(4-3-25)22-34-36-32(40)30-11-7-28(8-12-30)24-38-15-19-42-20-16-38/h1-12,21-22H,13-20,23-24H2,(H,35,39)(H,36,40)/b33-21-,34-22-
InChIKeyLTNHYXCZCIWQKD-YWQXDYITSA-N
XLogP2.88
TPSA107.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(piperidin-1-ylmethyl)benzamide
CID 145127992
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 94838624
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1361849
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6181128
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3722316
N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3788046
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 1362638
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-(cyclooctylideneamino)-4-(morpholin-4-ylmethyl)benzamide
CID 762046

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide (CID 98123916) is 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(/C=N\NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
The InChIKey is LTNHYXCZCIWQKD-YWQXDYITSA-N. The full InChI is InChI=1S/C32H36N6O4/c39-31(29-9-5-27(6-10-29)23-37-13-17-41-18-14-37)35-33-21-25-1-2-26(4-3-25)22-34-36-32(40)30-11-7-28(8-12-30)24-38-15-19-42-20-16-38/h1-12,21-22H,13-20,23-24H2,(H,35,39)(H,36,40)/b33-21-,34-22-.
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide has a molecular weight of 568.68 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 98123916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).