(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide

C19H28N2O4 — CID 124830290

IUPAC(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-13(17-7-5-11-25-17)20-19(22)21-10-4-6-16(21)15-9-8-14(23-2)12-18(15)24-3/h8-9,12-13,16-17H,4-7,10-11H2,1-3H3,(H,20,22)/t13-,16+,17-/m1/s1
InChIKeyHYFCPOCHNIURFK-XOKHGSTOSA-N
MW348.44 g/mol
LogP3.12
Rot. Bonds5

About (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide

(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 124830290) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID124830290
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-13(17-7-5-11-25-17)20-19(22)21-10-4-6-16(21)15-9-8-14(23-2)12-18(15)24-3/h8-9,12-13,16-17H,4-7,10-11H2,1-3H3,(H,20,22)/t13-,16+,17-/m1/s1
InChIKeyHYFCPOCHNIURFK-XOKHGSTOSA-N
XLogP3.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide (CID 124830290) is (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)c(OC)c1.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is HYFCPOCHNIURFK-XOKHGSTOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(17-7-5-11-25-17)20-19(22)21-10-4-6-16(21)15-9-8-14(23-2)12-18(15)24-3/h8-9,12-13,16-17H,4-7,10-11H2,1-3H3,(H,20,22)/t13-,16+,17-/m1/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124830290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).