2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide

C20H24N2O4 — CID 90595303

IUPAC2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(OC)C2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-11-12-22(13-16)15-9-7-14(8-10-15)21-20(23)19-17(25-2)5-4-6-18(19)26-3/h4-10,16H,11-13H2,1-3H3,(H,21,23)
InChIKeyNWKVGULEUAPLBC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.18
Rot. Bonds6

About 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide

2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide (PubChem CID 90595303) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
PubChem CID90595303
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(OC)C2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-16-11-12-22(13-16)15-9-7-14(8-10-15)21-20(23)19-17(25-2)5-4-6-18(19)26-3/h4-10,16H,11-13H2,1-3H3,(H,21,23)
InChIKeyNWKVGULEUAPLBC-UHFFFAOYSA-N
XLogP3.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]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

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
CID 90595543
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 72719161
2-(2-methoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141457
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide (CID 90595303) is 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(OC)C2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is NWKVGULEUAPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-16-11-12-22(13-16)15-9-7-14(8-10-15)21-20(23)19-17(25-2)5-4-6-18(19)26-3/h4-10,16H,11-13H2,1-3H3,(H,21,23).
What are the key properties of 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 90595303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).