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

C16H24N2O3 — CID 5323845

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)13-8-5-9-14(20-2)15(13)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyRCZDXFJAMRSBKF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds6

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide (PubChem CID 5323845) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide
PubChem CID5323845
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)13-8-5-9-14(20-2)15(13)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyRCZDXFJAMRSBKF-UHFFFAOYSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Veralipride
CID 47979
5-(3-Fluoropropyl)-2,3-dimethoxy-N-(((2S)-1-(2-propen-1-yl)-2-pyrrolidinyl)methyl)benzamide
CID 10021692
Epidepride
CID 86101
Flb 457
CID 9907436
PF-429242
CID 23661637
5-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dimethoxybenzamide
CID 129497
Ncq-298
CID 14601425
RO 116 1148
CID 44391713
Iodopride
CID 3082754
N-(((S)-1-allylpyrrolidin-2-yl)methyl)-5-bromo-2,3-dimethoxybenzamide
CID 14665503
N-(1-Benzylpiperidin-4-yl)-2,3-dimethoxybenzamide
CID 13314232
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide (CID 5323845) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide is CCN1CCCC1CNC(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is RCZDXFJAMRSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)13-8-5-9-14(20-2)15(13)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 5323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).