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

C18H28N2O3 — CID 13493791

IUPAC3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1OC
InChIInChI=1S/C18H28N2O3/c1-5-13-9-10-15(22-3)16(17(13)23-4)18(21)19-12-14-8-7-11-20(14)6-2/h9-10,14H,5-8,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyGGEDSWLSSJZGKV-AWEZNQCLSA-N
MW320.43 g/mol
LogP2.48
Rot. Bonds7

About 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide

3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 13493791) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound Name3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID13493791
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1OC
InChIInChI=1S/C18H28N2O3/c1-5-13-9-10-15(22-3)16(17(13)23-4)18(21)19-12-14-8-7-11-20(14)6-2/h9-10,14H,5-8,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyGGEDSWLSSJZGKV-AWEZNQCLSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (CID 13493791) is 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is CCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1OC.
What is the InChIKey of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is GGEDSWLSSJZGKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-13-9-10-15(22-3)16(17(13)23-4)18(21)19-12-14-8-7-11-20(14)6-2/h9-10,14H,5-8,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 13493791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).