N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide

C17H26N2O4 — CID 19738289

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c(C)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-5-19-8-6-7-12(19)10-18-17(21)14-15(20)11(2)9-13(22-3)16(14)23-4/h9,12,20H,5-8,10H2,1-4H3,(H,18,21)
InChIKeyUQUSHEDVYVRCJT-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.93
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide (PubChem CID 19738289) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
PubChem CID19738289
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c(C)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-5-19-8-6-7-12(19)10-18-17(21)14-15(20)11(2)9-13(22-3)16(14)23-4/h9,12,20H,5-8,10H2,1-4H3,(H,18,21)
InChIKeyUQUSHEDVYVRCJT-UHFFFAOYSA-N
XLogP1.93
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-iodo-6-methoxybenzamide
CID 10345188
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-fluoro-2-hydroxy-6-methoxybenzamide
CID 13493798
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-6-methoxybenzamide
CID 5120
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
CID 175104597
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
CID 52942307

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide (CID 19738289) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide is CCN1CCCC1CNC(=O)c1c(O)c(C)cc(OC)c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide?
The InChIKey is UQUSHEDVYVRCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-19-8-6-7-12(19)10-18-17(21)14-15(20)11(2)9-13(22-3)16(14)23-4/h9,12,20H,5-8,10H2,1-4H3,(H,18,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide is sourced from PubChem (CID 19738289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).