4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

C19H25ClN2O3 — CID 146052593

IUPAC4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC(c2ccc(C)o2)N2CCCC2)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-14-5-10-18(24-14)17(21-11-3-4-12-21)13-20-19(22)15-6-8-16(23-2)9-7-15;/h5-10,17H,3-4,11-13H2,1-2H3,(H,20,22);1H
InChIKeyOYKNPKIAFHXLTI-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.59
Rot. Bonds6

About 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (PubChem CID 146052593) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
PubChem CID146052593
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC(c2ccc(C)o2)N2CCCC2)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-14-5-10-18(24-14)17(21-11-3-4-12-21)13-20-19(22)15-6-8-16(23-2)9-7-15;/h5-10,17H,3-4,11-13H2,1-2H3,(H,20,22);1H
InChIKeyOYKNPKIAFHXLTI-UHFFFAOYSA-N
XLogP3.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
6-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 95283314
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 26834823
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 35674097

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride (CID 146052593) is 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is COc1ccc(C(=O)NCC(c2ccc(C)o2)N2CCCC2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
The InChIKey is OYKNPKIAFHXLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-14-5-10-18(24-14)17(21-11-3-4-12-21)13-20-19(22)15-6-8-16(23-2)9-7-15;/h5-10,17H,3-4,11-13H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride?
4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride is sourced from PubChem (CID 146052593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).