2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide

C28H30N4O6 — CID 3123973

IUPAC2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC
InChIInChI=1S/C28H30N4O6/c1-17(2)24(28(36)32-31-26(34)19-11-15-21(38-4)16-12-19)30-27(35)22-7-5-6-8-23(22)29-25(33)18-9-13-20(37-3)14-10-18/h5-17,24H,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)
InChIKeyCECWGMHKTCMQSE-UHFFFAOYSA-N
MW518.60 g/mol
LogP4.40
Rot. Bonds9

About 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide

2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide (PubChem CID 3123973) has the molecular formula C28H30N4O6 and a molecular weight of 518.60 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide
PubChem CID3123973
Molecular FormulaC28H30N4O6
Molecular Weight518.60 g/mol
Exact Mass518.22
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC
InChIInChI=1S/C28H30N4O6/c1-17(2)24(28(36)32-31-26(34)19-11-15-21(38-4)16-12-19)30-27(35)22-7-5-6-8-23(22)29-25(33)18-9-13-20(37-3)14-10-18/h5-17,24H,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)
InChIKeyCECWGMHKTCMQSE-UHFFFAOYSA-N
XLogP4.40
TPSA135.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity805

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide?
The IUPAC name of 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide (CID 3123973) is 2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide?
The canonical SMILES for 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide is CC(C)C(C(=O)NNC(=O)C1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC.
What is the InChIKey of 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide?
The InChIKey is CECWGMHKTCMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6/c1-17(2)24(28(36)32-31-26(34)19-11-15-21(38-4)16-12-19)30-27(35)22-7-5-6-8-23(22)29-25(33)18-9-13-20(37-3)14-10-18/h5-17,24H,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36).
What are the key properties of 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide?
2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide has a molecular weight of 518.60 g/mol, XLogP of 4.40, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Methoxybenzamido)-N-{1-[(4-methoxyphenyl)formohydrazido]-3-methyl-1-oxobutan-2-YL}benzamide is sourced from PubChem (CID 3123973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).