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

C19H30N2O3 — CID 52942307

IUPAC2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
SMILESCCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1CC
InChIInChI=1S/C19H30N2O3/c1-5-13-11-16(22)18(24-4)17(15(13)6-2)19(23)20-12-14-9-8-10-21(14)7-3/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyYDAJJJBQJSTNFN-AWEZNQCLSA-N
MW334.46 g/mol
LogP2.74
Rot. Bonds7

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

2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide (PubChem CID 52942307) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound Name2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
PubChem CID52942307
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
SMILESCCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1CC
InChIInChI=1S/C19H30N2O3/c1-5-13-11-16(22)18(24-4)17(15(13)6-2)19(23)20-12-14-9-8-10-21(14)7-3/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyYDAJJJBQJSTNFN-AWEZNQCLSA-N
XLogP2.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
CID 14691952
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-iodo-6-methoxybenzamide
CID 10345188
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dihydroxy-6-methoxybenzamide
CID 88636335
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide?
The IUPAC name of 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide (CID 52942307) is 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide.
What is the SMILES notation for 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide?
The canonical SMILES for 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide is CCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1CC.
What is the InChIKey of 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide?
The InChIKey is YDAJJJBQJSTNFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-13-11-16(22)18(24-4)17(15(13)6-2)19(23)20-12-14-9-8-10-21(14)7-3/h11,14,22H,5-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide?
2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide has a molecular weight of 334.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 52942307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).