3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide

C25H24N4O7 — CID 126225259

IUPAC3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC
InChIInChI=1S/C25H24N4O7/c1-3-35-21-13-10-18(15-22(21)36-4-2)23(30)26-19-7-5-6-17(14-19)25(32)28-27-24(31)16-8-11-20(12-9-16)29(33)34/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyMUBSACPEVGGCPX-UHFFFAOYSA-N
MW492.49 g/mol
LogP3.72
Rot. Bonds9

About 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide

3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 126225259) has the molecular formula C25H24N4O7 and a molecular weight of 492.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID126225259
Molecular FormulaC25H24N4O7
Molecular Weight492.49 g/mol
Exact Mass492.16
IUPAC Name3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC
InChIInChI=1S/C25H24N4O7/c1-3-35-21-13-10-18(15-22(21)36-4-2)23(30)26-19-7-5-6-17(14-19)25(32)28-27-24(31)16-8-11-20(12-9-16)29(33)34/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyMUBSACPEVGGCPX-UHFFFAOYSA-N
XLogP3.72
TPSA148.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
CID 9314736
3,4-diethoxy-N-[3-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]benzamide
CID 45020297
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39269336
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide (CID 126225259) is 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is MUBSACPEVGGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7/c1-3-35-21-13-10-18(15-22(21)36-4-2)23(30)26-19-7-5-6-17(14-19)25(32)28-27-24(31)16-8-11-20(12-9-16)29(33)34/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 492.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126225259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).