5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

C17H26N2O2 — CID 15167698

IUPAC5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
SMILESCCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1
InChIInChI=1S/C17H26N2O2/c1-4-13-8-9-16(21-3)15(11-13)17(20)18-12-14-7-6-10-19(14)5-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeySKRQYXAPIDILOG-AWEZNQCLSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds6

About 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 15167698) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID15167698
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
SMILESCCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1
InChIInChI=1S/C17H26N2O2/c1-4-13-8-9-16(21-3)15(11-13)17(20)18-12-14-7-6-10-19(14)5-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeySKRQYXAPIDILOG-AWEZNQCLSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide (CID 15167698) is 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide is CCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1.
What is the InChIKey of 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is SKRQYXAPIDILOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13-8-9-16(21-3)15(11-13)17(20)18-12-14-7-6-10-19(14)5-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 15167698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).