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

C25H25N3O6 — CID 58506929

IUPAC3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
SMILESCOc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O6/c1-15-8-10-16(11-9-15)23(29)26-18-6-5-7-19(14-18)27-25(31)28-24(30)17-12-20(32-2)22(34-4)21(13-17)33-3/h5-14H,1-4H3,(H,26,29)(H2,27,28,30,31)
InChIKeyPHIZZBHTBSYQIR-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.24
Rot. Bonds7

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

3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide (PubChem CID 58506929) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
PubChem CID58506929
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
SMILESCOc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O6/c1-15-8-10-16(11-9-15)23(29)26-18-6-5-7-19(14-18)27-25(31)28-24(30)17-12-20(32-2)22(34-4)21(13-17)33-3/h5-14H,1-4H3,(H,26,29)(H2,27,28,30,31)
InChIKeyPHIZZBHTBSYQIR-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide
CID 58506935
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
3,4,5-trimethoxy-N-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 57326208
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1193343
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-[(3-acetylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2279251

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide (CID 58506929) is 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide is COc1cc(C(=O)NC(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide?
The InChIKey is PHIZZBHTBSYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-15-8-10-16(11-9-15)23(29)26-18-6-5-7-19(14-18)27-25(31)28-24(30)17-12-20(32-2)22(34-4)21(13-17)33-3/h5-14H,1-4H3,(H,26,29)(H2,27,28,30,31).
What are the key properties of 3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide?
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.24, 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-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 58506929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).