3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide

C21H26N2O4 — CID 110361706

IUPAC3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCCC3)ccc2C)cc(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-14-7-8-16(23-9-5-6-10-23)13-17(14)22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,24)
InChIKeyGSZSIHGCCSWSKT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.87
Rot. Bonds6

About 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide

3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 110361706) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
PubChem CID110361706
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCCC3)ccc2C)cc(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-14-7-8-16(23-9-5-6-10-23)13-17(14)22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,24)
InChIKeyGSZSIHGCCSWSKT-UHFFFAOYSA-N
XLogP3.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)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

3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 110362244
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78775496
6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide (CID 110361706) is 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2cc(N3CCCC3)ccc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is GSZSIHGCCSWSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-7-8-16(23-9-5-6-10-23)13-17(14)22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110361706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).