2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide

C20H27N2O3+ — CID 7972555

IUPAC2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
SMILESCCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-2-16-7-9-17(10-8-16)25-15-20(23)21-14-18(19-6-5-13-24-19)22-11-3-4-12-22/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1
InChIKeyJVNLAQUJTFVCPW-SFHVURJKSA-O
MW343.45 g/mol
LogP1.76
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide

2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide (PubChem CID 7972555) has the molecular formula C20H27N2O3+ and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
PubChem CID7972555
Molecular FormulaC20H27N2O3+
Molecular Weight343.45 g/mol
Exact Mass343.20
IUPAC Name2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
SMILESCCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-2-16-7-9-17(10-8-16)25-15-20(23)21-14-18(19-6-5-13-24-19)22-11-3-4-12-22/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1
InChIKeyJVNLAQUJTFVCPW-SFHVURJKSA-O
XLogP1.76
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 7217183
2-(4-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]acetamide
CID 7525478
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide
CID 7162808
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]-2-phenoxyacetamide
CID 7162930
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468273
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethoxybenzamide
CID 9404067
3,4,5-triethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7972668
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 8799066
N-[2-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 2565002
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methoxyphenyl)thiourea
CID 2440649

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide (CID 7972555) is 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide is CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The InChIKey is JVNLAQUJTFVCPW-SFHVURJKSA-O. The full InChI is InChI=1S/C20H26N2O3/c1-2-16-7-9-17(10-8-16)25-15-20(23)21-14-18(19-6-5-13-24-19)22-11-3-4-12-22/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide is sourced from PubChem (CID 7972555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).