N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide

C18H22N2O2 — CID 43842816

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C18H22N2O2/c1-14-7-2-3-8-15(14)18(21)19-13-16(17-9-6-12-22-17)20-10-4-5-11-20/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,19,21)
InChIKeyJVINVTSFOFWELF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide (PubChem CID 43842816) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
PubChem CID43842816
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C18H22N2O2/c1-14-7-2-3-8-15(14)18(21)19-13-16(17-9-6-12-22-17)20-10-4-5-11-20/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,19,21)
InChIKeyJVINVTSFOFWELF-UHFFFAOYSA-N
XLogP3.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide (CID 43842816) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide?
The InChIKey is JVINVTSFOFWELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-2-3-8-15(14)18(21)19-13-16(17-9-6-12-22-17)20-10-4-5-11-20/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 43842816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).