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

C20H30N2O4 — CID 175104597

IUPAC5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SMILESCCCC(=O)c1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1
InChIInChI=1S/C20H30N2O4/c1-5-8-17(23)14-11-16(19(26-4)18(12-14)25-3)20(24)21-13-15-9-7-10-22(15)6-2/h11-12,15H,5-10,13H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyYQUIDUNYESGHTM-HNNXBMFYSA-N
MW362.47 g/mol
LogP2.90
Rot. Bonds9

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

5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 175104597) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound Name5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID175104597
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SMILESCCCC(=O)c1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1
InChIInChI=1S/C20H30N2O4/c1-5-8-17(23)14-11-16(19(26-4)18(12-14)25-3)20(24)21-13-15-9-7-10-22(15)6-2/h11-12,15H,5-10,13H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyYQUIDUNYESGHTM-HNNXBMFYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
2,3-dimethoxy-N-[[(2R)-1-propylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 172640676
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
[5-bromo-3-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-2-methoxyphenyl] octadecanoate
CID 70451507
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide
CID 139754115
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[[1-(3-fluoropropyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
CID 23276511

Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide (CID 175104597) is 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide is CCCC(=O)c1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1.
What is the InChIKey of 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is YQUIDUNYESGHTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-8-17(23)14-11-16(19(26-4)18(12-14)25-3)20(24)21-13-15-9-7-10-22(15)6-2/h11-12,15H,5-10,13H2,1-4H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide?
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 175104597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).