3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride

C22H27ClN2O3 — CID 146052708

IUPAC3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc2oc(C(=O)NCC(c3ccc(C)o3)N3CCCC3)c(C)c2c1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-14-6-8-19-17(12-14)16(3)21(27-19)22(25)23-13-18(24-10-4-5-11-24)20-9-7-15(2)26-20;/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,23,25);1H
InChIKeyCUYZHKRCHCCDPW-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.94
Rot. Bonds5

About 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride

3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 146052708) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID146052708
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc2oc(C(=O)NCC(c3ccc(C)o3)N3CCCC3)c(C)c2c1.Cl
InChIInChI=1S/C22H26N2O3.ClH/c1-14-6-8-19-17(12-14)16(3)21(27-19)22(25)23-13-18(24-10-4-5-11-24)20-9-7-15(2)26-20;/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,23,25);1H
InChIKeyCUYZHKRCHCCDPW-UHFFFAOYSA-N
XLogP4.94
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 26835117
5-fluoro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052704
6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052711
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
3,5-dimethyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35579101
N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 42279228
N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35577223
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35579887
5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052731
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 146052708) is 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride is Cc1ccc2oc(C(=O)NCC(c3ccc(C)o3)N3CCCC3)c(C)c2c1.Cl.
What is the InChIKey of 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is CUYZHKRCHCCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3.ClH/c1-14-6-8-19-17(12-14)16(3)21(27-19)22(25)23-13-18(24-10-4-5-11-24)20-9-7-15(2)26-20;/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,23,25);1H.
What are the key properties of 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?
3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).