3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide

C24H22N4O6 — CID 6039924

IUPAC3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C24H22N4O6/c1-16(29)26-20-10-6-9-18(11-20)24(30)27-25-14-19-12-22(33-2)23(13-21(19)28(31)32)34-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)/b25-14-
InChIKeyYETCUVOLJQDHKY-QFEZKATASA-N
MW462.46 g/mol
LogP3.90
Rot. Bonds9

About 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide

3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6039924) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6039924
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C24H22N4O6/c1-16(29)26-20-10-6-9-18(11-20)24(30)27-25-14-19-12-22(33-2)23(13-21(19)28(31)32)34-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)/b25-14-
InChIKeyYETCUVOLJQDHKY-QFEZKATASA-N
XLogP3.90
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
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

3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
N-(3-chlorophenyl)-N'-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5213889
N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide
CID 3263380
N-(3-chloro-4-methylphenyl)-N'-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3933311
N-[2-[2-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3836904
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
CID 168591750
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 25301252
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211151

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6039924) is 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1.
What is the InChIKey of 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is YETCUVOLJQDHKY-QFEZKATASA-N. The full InChI is InChI=1S/C24H22N4O6/c1-16(29)26-20-10-6-9-18(11-20)24(30)27-25-14-19-12-22(33-2)23(13-21(19)28(31)32)34-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)/b25-14-.
What are the key properties of 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide?
3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 462.46 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6039924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).