N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

C20H24N2O5 — CID 29364402

IUPACN-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccco2)c1
InChIInChI=1S/C20H24N2O5/c1-13(21-19(23)18-7-5-11-27-18)20(24)22-10-4-6-16(22)15-12-14(25-2)8-9-17(15)26-3/h5,7-9,11-13,16H,4,6,10H2,1-3H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyNHXMIDWTZWISNL-XJKSGUPXSA-N
MW372.42 g/mol
LogP2.78
Rot. Bonds6

About N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 29364402) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID29364402
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccco2)c1
InChIInChI=1S/C20H24N2O5/c1-13(21-19(23)18-7-5-11-27-18)20(24)22-10-4-6-16(22)15-12-14(25-2)8-9-17(15)26-3/h5,7-9,11-13,16H,4,6,10H2,1-3H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyNHXMIDWTZWISNL-XJKSGUPXSA-N
XLogP2.78
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]ethanone
CID 8756068
2-(1,3-benzothiazol-2-ylamino)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 24684913
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 46636840
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 46636703
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51207395
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 8598631
(2S)-N-benzyl-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 9283370
1-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 47013445
N-[(2R)-1-[(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 95057637
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 8636358
[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8840927

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 29364402) is N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccco2)c1.
What is the InChIKey of N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is NHXMIDWTZWISNL-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(21-19(23)18-7-5-11-27-18)20(24)22-10-4-6-16(22)15-12-14(25-2)8-9-17(15)26-3/h5,7-9,11-13,16H,4,6,10H2,1-3H3,(H,21,23)/t13-,16+/m0/s1.
What are the key properties of N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 29364402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).