1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C23H30N2O4 — CID 55679020

IUPAC1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H30N2O4/c1-23(2,3)22(27)25-11-5-10-20(25)21(26)24-14-17-7-4-8-18(13-17)15-28-16-19-9-6-12-29-19/h4,6-9,12-13,20H,5,10-11,14-16H2,1-3H3,(H,24,26)
InChIKeyGKVFCRRGJYTSDQ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.65
Rot. Bonds7

About 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55679020) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55679020
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H30N2O4/c1-23(2,3)22(27)25-11-5-10-20(25)21(26)24-14-17-7-4-8-18(13-17)15-28-16-19-9-6-12-29-19/h4,6-9,12-13,20H,5,10-11,14-16H2,1-3H3,(H,24,26)
InChIKeyGKVFCRRGJYTSDQ-UHFFFAOYSA-N
XLogP3.65
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55780067
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55660886
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 51085663
(2R)-1-[2-(3-fluorophenyl)acetyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95282764
1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 55605802
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 51085674
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
tert-butyl (2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 70053161
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]methoxy-phenylborinic acid
CID 143218805

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 55679020) is 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is GKVFCRRGJYTSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-23(2,3)22(27)25-11-5-10-20(25)21(26)24-14-17-7-4-8-18(13-17)15-28-16-19-9-6-12-29-19/h4,6-9,12-13,20H,5,10-11,14-16H2,1-3H3,(H,24,26).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55679020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).