4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

C20H22N2O3 — CID 155705964

IUPAC4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1C
InChIInChI=1S/C20H22N2O3/c1-14-13-16(7-10-18(14)25-2)19(23)21-17-8-5-15(6-9-17)20(24)22-11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyJLVXCABRBPYAGY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.49
Rot. Bonds4

About 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 155705964) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID155705964
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1C
InChIInChI=1S/C20H22N2O3/c1-14-13-16(7-10-18(14)25-2)19(23)21-17-8-5-15(6-9-17)20(24)22-11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyJLVXCABRBPYAGY-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167470
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3,4-dimethylbenzamide
CID 17127932

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 155705964) is 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is JLVXCABRBPYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-13-16(7-10-18(14)25-2)19(23)21-17-8-5-15(6-9-17)20(24)22-11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 155705964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).