3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide

C20H24N2O2 — CID 42039924

IUPAC3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1C
InChIInChI=1S/C20H24N2O2/c1-14-6-7-16(13-19(14)24-3)20(23)21-18-9-8-17(12-15(18)2)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyOFKZHHDFPDEXQS-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.16
Rot. Bonds4

About 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide

3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 42039924) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID42039924
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1C
InChIInChI=1S/C20H24N2O2/c1-14-6-7-16(13-19(14)24-3)20(23)21-18-9-8-17(12-15(18)2)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyOFKZHHDFPDEXQS-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110361706
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methoxybenzamide
CID 36564372
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
CID 163663259
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide (CID 42039924) is 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is OFKZHHDFPDEXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-6-7-16(13-19(14)24-3)20(23)21-18-9-8-17(12-15(18)2)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 42039924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).