N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide

C21H26N2O3 — CID 14894157

IUPACN-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-17-10-7-13-23(17)15-16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyJLSSMOBEJBGIRR-QGZVFWFLSA-N
MW354.45 g/mol
LogP3.10
Rot. Bonds7

About N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide

N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 14894157) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID14894157
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC
InChIInChI=1S/C21H26N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-17-10-7-13-23(17)15-16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyJLSSMOBEJBGIRR-QGZVFWFLSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide (CID 14894157) is N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC.
What is the InChIKey of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is JLSSMOBEJBGIRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-17-10-7-13-23(17)15-16-8-4-3-5-9-16/h3-6,8-9,11-12,17H,7,10,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 14894157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).