N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride

C16H25ClN2O3 — CID 15565705

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1c(OC)cccc1OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-18-10-6-7-12(18)11-17-16(19)15-13(20-2)8-5-9-14(15)21-3;/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19);1H
InChIKeyYKRCBICZQYVBCZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.34
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride (PubChem CID 15565705) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride
PubChem CID15565705
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1c(OC)cccc1OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-18-10-6-7-12(18)11-17-16(19)15-13(20-2)8-5-9-14(15)21-3;/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19);1H
InChIKeyYKRCBICZQYVBCZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride (CID 15565705) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride is CCN1CCCC1CNC(=O)c1c(OC)cccc1OC.Cl.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride?
The InChIKey is YKRCBICZQYVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-4-18-10-6-7-12(18)11-17-16(19)15-13(20-2)8-5-9-14(15)21-3;/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.34, 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]-2,6-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 15565705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).