3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide

C22H28N2O2 — CID 126431308

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
SMILESCOc1cc(C)c(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)cc1C
InChIInChI=1S/C22H28N2O2/c1-15-12-21(26-5)16(2)11-20(15)17-7-6-8-18(13-17)22(25)24(4)19-9-10-23(3)14-19/h6-8,11-13,19H,9-10,14H2,1-5H3/t19-/m0/s1
InChIKeyBVVGMJVMAHEETL-IBGZPJMESA-N
MW352.48 g/mol
LogP3.76
Rot. Bonds4

About 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide

3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 126431308) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
PubChem CID126431308
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
SMILESCOc1cc(C)c(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)cc1C
InChIInChI=1S/C22H28N2O2/c1-15-12-21(26-5)16(2)11-20(15)17-7-6-8-18(13-17)22(25)24(4)19-9-10-23(3)14-19/h6-8,11-13,19H,9-10,14H2,1-5H3/t19-/m0/s1
InChIKeyBVVGMJVMAHEETL-IBGZPJMESA-N
XLogP3.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 126431311
ethyl 6-[3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]carbamoyl]phenyl]pyridine-3-carboxylate
CID 126439885
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
formic acid;N-methyl-N-(1-methylpyrrolidin-3-yl)-3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
CID 154911031
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116084
N,8-dimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95045887
4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 126434542
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 70244536

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide (CID 126431308) is 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide is COc1cc(C)c(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is BVVGMJVMAHEETL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-12-21(26-5)16(2)11-20(15)17-7-6-8-18(13-17)22(25)24(4)19-9-10-23(3)14-19/h6-8,11-13,19H,9-10,14H2,1-5H3/t19-/m0/s1.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide?
3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126431308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).