N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide

C25H24N4O6 — CID 2973346

IUPACN-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H24N4O6/c1-34-21-9-4-18(5-10-21)26-25(31)22-16-19(6-11-23(22)28-12-14-35-15-13-28)27-24(30)17-2-7-20(8-3-17)29(32)33/h2-11,16H,12-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyDUNBBMOODJNCQD-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.94
Rot. Bonds7

About N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide

N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 2973346) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
PubChem CID2973346
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC NameN-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H24N4O6/c1-34-21-9-4-18(5-10-21)26-25(31)22-16-19(6-11-23(22)28-12-14-35-15-13-28)27-24(30)17-2-7-20(8-3-17)29(32)33/h2-11,16H,12-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyDUNBBMOODJNCQD-UHFFFAOYSA-N
XLogP3.94
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]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

4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 18084314
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2984352
N-(4-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 19629642

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide (CID 2973346) is N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide is COc1ccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is DUNBBMOODJNCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-34-21-9-4-18(5-10-21)26-25(31)22-16-19(6-11-23(22)28-12-14-35-15-13-28)27-24(30)17-2-7-20(8-3-17)29(32)33/h2-11,16H,12-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide?
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 476.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 2973346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).