3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide

C26H25N3O4 — CID 16762759

IUPAC3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2=Nc3ccccc3NC(C)=C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O4/c1-16-23(17-10-6-5-7-11-17)25(28-20-13-9-8-12-19(20)27-16)29-26(30)18-14-21(31-2)24(33-4)22(15-18)32-3/h5-15,27H,1-4H3,(H,28,29,30)
InChIKeyDHZPPHSVMPOIEN-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.03
Rot. Bonds5

About 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide

3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide (PubChem CID 16762759) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide
PubChem CID16762759
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2=Nc3ccccc3NC(C)=C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O4/c1-16-23(17-10-6-5-7-11-17)25(28-20-13-9-8-12-19(20)27-16)29-26(30)18-14-21(31-2)24(33-4)22(15-18)32-3/h5-15,27H,1-4H3,(H,28,29,30)
InChIKeyDHZPPHSVMPOIEN-UHFFFAOYSA-N
XLogP5.03
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-4-[(4-methylsulfonylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate
CID 55339734
N-[(3S)-2-ethyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-3,4,5-trimethoxybenzamide
CID 41009488
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 999954
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-[3-(2-anilino-1-cyano-2-oxoethylidene)isoindol-1-yl]-3,4,5-trimethoxybenzamide
CID 4911483
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
CID 1377912
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide (CID 16762759) is 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide is COc1cc(C(=O)NC2=Nc3ccccc3NC(C)=C2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide?
The InChIKey is DHZPPHSVMPOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-16-23(17-10-6-5-7-11-17)25(28-20-13-9-8-12-19(20)27-16)29-26(30)18-14-21(31-2)24(33-4)22(15-18)32-3/h5-15,27H,1-4H3,(H,28,29,30).
What are the key properties of 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide?
3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide has a molecular weight of 443.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)benzamide is sourced from PubChem (CID 16762759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).