3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C21H28N2O4 — CID 4807732

IUPAC3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1OCC
InChIInChI=1S/C21H28N2O4/c1-3-25-19-10-9-16(14-20(19)26-4-2)21(24)22-15-17(18-8-7-13-27-18)23-11-5-6-12-23/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,22,24)
InChIKeySOVCTXJBCKDCSX-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.64
Rot. Bonds9

About 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 4807732) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID4807732
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1OCC
InChIInChI=1S/C21H28N2O4/c1-3-25-19-10-9-16(14-20(19)26-4-2)21(24)22-15-17(18-8-7-13-27-18)23-11-5-6-12-23/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,22,24)
InChIKeySOVCTXJBCKDCSX-UHFFFAOYSA-N
XLogP3.64
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
4-ethoxy-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methoxy-2-nitrobenzamide
CID 55451253
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 4807732) is 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is CCOc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is SOVCTXJBCKDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-3-25-19-10-9-16(14-20(19)26-4-2)21(24)22-15-17(18-8-7-13-27-18)23-11-5-6-12-23/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,22,24).
What are the key properties of 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 4807732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).