4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide

C31H37N3O5 — CID 6274766

IUPAC4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C31H37N3O5/c1-2-3-4-5-6-7-8-13-22-38-28-20-18-25(19-21-28)31(35)33-32-23-26-14-10-12-17-30(26)39-24-27-15-9-11-16-29(27)34(36)37/h9-12,14-21,23H,2-8,13,22,24H2,1H3,(H,33,35)/b32-23-
InChIKeyYTDOEEHCBGRKRM-SJIPCVTESA-N
MW531.65 g/mol
LogP7.46
Rot. Bonds17

About 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide

4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 6274766) has the molecular formula C31H37N3O5 and a molecular weight of 531.65 g/mol. Its IUPAC name is 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID6274766
Molecular FormulaC31H37N3O5
Molecular Weight531.65 g/mol
Exact Mass531.27
IUPAC Name4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C31H37N3O5/c1-2-3-4-5-6-7-8-13-22-38-28-20-18-25(19-21-28)31(35)33-32-23-26-14-10-12-17-30(26)39-24-27-15-9-11-16-29(27)34(36)37/h9-12,14-21,23H,2-8,13,22,24H2,1H3,(H,33,35)/b32-23-
InChIKeyYTDOEEHCBGRKRM-SJIPCVTESA-N
XLogP7.46
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
(2R)-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 7039460
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-pentoxyphenyl)methylideneamino]benzamide
CID 56693862
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-decoxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 3896584
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
2-methyl-N-[2-[[(E)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 6875982
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
N-[(2-nitrophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925685

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 6274766) is 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide is CCCCCCCCCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is YTDOEEHCBGRKRM-SJIPCVTESA-N. The full InChI is InChI=1S/C31H37N3O5/c1-2-3-4-5-6-7-8-13-22-38-28-20-18-25(19-21-28)31(35)33-32-23-26-14-10-12-17-30(26)39-24-27-15-9-11-16-29(27)34(36)37/h9-12,14-21,23H,2-8,13,22,24H2,1H3,(H,33,35)/b32-23-.
What are the key properties of 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide?
4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 531.65 g/mol, XLogP of 7.46, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6274766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).