N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide

C17H26N2O3 — CID 13493789

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(C)c1OC
InChIInChI=1S/C17H26N2O3/c1-5-19-10-6-7-13(19)11-18-17(20)15-14(21-3)9-8-12(2)16(15)22-4/h8-9,13H,5-7,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyRHHXXLIDDWPLIK-ZDUSSCGKSA-N
MW306.41 g/mol
LogP2.23
Rot. Bonds6

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide (PubChem CID 13493789) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide
PubChem CID13493789
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(C)c1OC
InChIInChI=1S/C17H26N2O3/c1-5-19-10-6-7-13(19)11-18-17(20)15-14(21-3)9-8-12(2)16(15)22-4/h8-9,13H,5-7,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyRHHXXLIDDWPLIK-ZDUSSCGKSA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.23
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-dimethoxy-3-methylbenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide (CID 13493789) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide is CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(C)c1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide?
The InChIKey is RHHXXLIDDWPLIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-19-10-6-7-13(19)11-18-17(20)15-14(21-3)9-8-12(2)16(15)22-4/h8-9,13H,5-7,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-3-methylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.23, 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-dimethoxy-3-methylbenzamide is sourced from PubChem (CID 13493789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).