N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide

C16H24N2O3 — CID 15565706

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)15-13(20-2)8-5-9-14(15)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyXHDCLFMAXFUNGX-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds6

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 15565706) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID15565706
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)15-13(20-2)8-5-9-14(15)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyXHDCLFMAXFUNGX-LBPRGKRZSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (CID 15565706) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is XHDCLFMAXFUNGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)15-13(20-2)8-5-9-14(15)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 15565706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).