N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide

C20H24N2O — CID 18156319

IUPACN-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-15-8-9-19(16(2)12-15)20(23)21-18-10-11-22(14-18)13-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyBJYLGGKUBGUZJL-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.31
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide

N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide (PubChem CID 18156319) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
PubChem CID18156319
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-15-8-9-19(16(2)12-15)20(23)21-18-10-11-22(14-18)13-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyBJYLGGKUBGUZJL-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
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CID 18156414

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide (CID 18156319) is N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide?
The InChIKey is BJYLGGKUBGUZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-9-19(16(2)12-15)20(23)21-18-10-11-22(14-18)13-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide?
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide has a molecular weight of 308.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide is sourced from PubChem (CID 18156319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).