3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide

C18H28N2O4 — CID 14668300

IUPAC3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
InChIInChI=1S/C18H28N2O4/c1-5-12-10-14(23-3)17(24-4)15(16(12)21)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyNHGHSSSIIOPHJZ-ZDUSSCGKSA-N
MW336.43 g/mol
LogP2.19
Rot. Bonds7

About 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide

3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide (PubChem CID 14668300) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide.

Molecular Properties

Compound Name3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
PubChem CID14668300
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
InChIInChI=1S/C18H28N2O4/c1-5-12-10-14(23-3)17(24-4)15(16(12)21)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyNHGHSSSIIOPHJZ-ZDUSSCGKSA-N
XLogP2.19
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide?
The IUPAC name of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide (CID 14668300) is 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide.
What is the SMILES notation for 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide?
The canonical SMILES for 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide is CCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O.
What is the InChIKey of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide?
The InChIKey is NHGHSSSIIOPHJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-12-10-14(23-3)17(24-4)15(16(12)21)18(22)19-11-13-8-7-9-20(13)6-2/h10,13,21H,5-9,11H2,1-4H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide?
3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide has a molecular weight of 336.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide is sourced from PubChem (CID 14668300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).