3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide

C25H25N3O6 — CID 126231092

IUPAC3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O6/c1-15-7-5-8-16(11-15)24(30)27-28-25(31)17-9-6-10-19(12-17)26-23(29)18-13-20(32-2)22(34-4)21(14-18)33-3/h5-14H,1-4H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyLICKKAQNLNAOLQ-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.35
Rot. Bonds7

About 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide

3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 126231092) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID126231092
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O6/c1-15-7-5-8-16(11-15)24(30)27-28-25(31)17-9-6-10-19(12-17)26-23(29)18-13-20(32-2)22(34-4)21(14-18)33-3/h5-14H,1-4H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyLICKKAQNLNAOLQ-UHFFFAOYSA-N
XLogP3.35
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164546

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide (CID 126231092) is 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is LICKKAQNLNAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-15-7-5-8-16(11-15)24(30)27-28-25(31)17-9-6-10-19(12-17)26-23(29)18-13-20(32-2)22(34-4)21(14-18)33-3/h5-14H,1-4H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide?
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126231092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).