N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide

C21H26N2O — CID 95131755

IUPACN-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(CN2CCC[C@H]2C)c1
InChIInChI=1S/C21H26N2O/c1-15-7-4-8-16(2)20(15)22-21(24)19-11-5-10-18(13-19)14-23-12-6-9-17(23)3/h4-5,7-8,10-11,13,17H,6,9,12,14H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyYLSUUCBYRWCNCL-QGZVFWFLSA-N
MW322.45 g/mol
LogP4.54
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide

N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide (PubChem CID 95131755) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
PubChem CID95131755
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1cccc(CN2CCC[C@H]2C)c1
InChIInChI=1S/C21H26N2O/c1-15-7-4-8-16(2)20(15)22-21(24)19-11-5-10-18(13-19)14-23-12-6-9-17(23)3/h4-5,7-8,10-11,13,17H,6,9,12,14H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyYLSUUCBYRWCNCL-QGZVFWFLSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
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2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide (CID 95131755) is N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide is Cc1cccc(C)c1NC(=O)c1cccc(CN2CCC[C@H]2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide?
The InChIKey is YLSUUCBYRWCNCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-7-4-8-16(2)20(15)22-21(24)19-11-5-10-18(13-19)14-23-12-6-9-17(23)3/h4-5,7-8,10-11,13,17H,6,9,12,14H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide?
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95131755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).