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

C16H24N2O4 — CID 14416355

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-4-18-9-5-6-11(18)10-17-16(20)14-12(19)7-8-13(21-2)15(14)22-3/h7-8,11,19H,4-6,9-10H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyDQDAHRKHWVTGOB-NSHDSACASA-N
MW308.38 g/mol
LogP1.62
Rot. Bonds6

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide (PubChem CID 14416355) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide
PubChem CID14416355
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)ccc(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-4-18-9-5-6-11(18)10-17-16(20)14-12(19)7-8-13(21-2)15(14)22-3/h7-8,11,19H,4-6,9-10H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyDQDAHRKHWVTGOB-NSHDSACASA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide (CID 14416355) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(O)ccc(OC)c1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide?
The InChIKey is DQDAHRKHWVTGOB-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-18-9-5-6-11(18)10-17-16(20)14-12(19)7-8-13(21-2)15(14)22-3/h7-8,11,19H,4-6,9-10H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-2,3-dimethoxybenzamide is sourced from PubChem (CID 14416355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).