N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide

C24H23N3O8 — CID 4100835

IUPACN-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C24H23N3O8/c1-32-17-7-5-8-18(33-2)21(17)23(28)25-14-11-12-16(27(30)31)15(13-14)26-24(29)22-19(34-3)9-6-10-20(22)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyFBPQXBZQWVRYOU-UHFFFAOYSA-N
MW481.46 g/mol
LogP4.13
Rot. Bonds9

About N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide

N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide (PubChem CID 4100835) has the molecular formula C24H23N3O8 and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide
PubChem CID4100835
Molecular FormulaC24H23N3O8
Molecular Weight481.46 g/mol
Exact Mass481.15
IUPAC NameN-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C24H23N3O8/c1-32-17-7-5-8-18(33-2)21(17)23(28)25-14-11-12-16(27(30)31)15(13-14)26-24(29)22-19(34-3)9-6-10-20(22)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyFBPQXBZQWVRYOU-UHFFFAOYSA-N
XLogP4.13
TPSA138.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide 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-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
CID 3276898
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-(4-methoxy-3-nitrophenyl)-1H-indole-4-carboxamide
CID 86787175
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide (CID 4100835) is N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide?
The InChIKey is FBPQXBZQWVRYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O8/c1-32-17-7-5-8-18(33-2)21(17)23(28)25-14-11-12-16(27(30)31)15(13-14)26-24(29)22-19(34-3)9-6-10-20(22)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide?
N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide has a molecular weight of 481.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 4100835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).