2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C20H26N2O2 — CID 40750980

IUPAC2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C
InChIInChI=1S/C20H26N2O2/c1-15-7-8-17(12-16(15)2)13-20(23)21-14-18(19-6-5-11-24-19)22-9-3-4-10-22/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyBFWOEKIOXAXGGR-SFHVURJKSA-N
MW326.44 g/mol
LogP3.39
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 40750980) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID40750980
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C
InChIInChI=1S/C20H26N2O2/c1-15-7-8-17(12-16(15)2)13-20(23)21-14-18(19-6-5-11-24-19)22-9-3-4-10-22/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyBFWOEKIOXAXGGR-SFHVURJKSA-N
XLogP3.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2532711
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
[(1S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2481508
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 25161656
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95237805

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 40750980) is 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is BFWOEKIOXAXGGR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-7-8-17(12-16(15)2)13-20(23)21-14-18(19-6-5-11-24-19)22-9-3-4-10-22/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 40750980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).