N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide

C24H23N3O8 — CID 3276898

IUPACN-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cc(OC)cc(OC)c3)c2)c1
InChIInChI=1S/C24H23N3O8/c1-32-17-7-14(8-18(12-17)33-2)23(28)25-16-5-6-22(27(30)31)21(11-16)26-24(29)15-9-19(34-3)13-20(10-15)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyXZIUEJHQDJOUTG-UHFFFAOYSA-N
MW481.46 g/mol
LogP4.13
Rot. Bonds9

About N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide

N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide (PubChem CID 3276898) has the molecular formula C24H23N3O8 and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
PubChem CID3276898
Molecular FormulaC24H23N3O8
Molecular Weight481.46 g/mol
Exact Mass481.15
IUPAC NameN-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cc(OC)cc(OC)c3)c2)c1
InChIInChI=1S/C24H23N3O8/c1-32-17-7-14(8-18(12-17)33-2)23(28)25-16-5-6-22(27(30)31)21(11-16)26-24(29)15-9-19(34-3)13-20(10-15)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyXZIUEJHQDJOUTG-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'}

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Related Compounds

N-[3-[(2,6-dimethoxybenzoyl)amino]-4-nitrophenyl]-2,6-dimethoxybenzamide
CID 4100835
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
ethane;methyl 4-[3-[(4-methoxybenzoyl)amino]-4-nitrophenyl]benzoate
CID 143026535
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
CID 177145216
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide (CID 3276898) is N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cc(OC)cc(OC)c3)c2)c1.
What is the InChIKey of N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide?
The InChIKey is XZIUEJHQDJOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O8/c1-32-17-7-14(8-18(12-17)33-2)23(28)25-16-5-6-22(27(30)31)21(11-16)26-24(29)15-9-19(34-3)13-20(10-15)35-4/h5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide?
N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-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-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 3276898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).