(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide

C18H26N2O4 — CID 94124370

IUPAC(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@H]2CCOC2)c1
InChIInChI=1S/C18H26N2O4/c1-22-14-5-6-17(23-2)15(10-14)16-4-3-8-20(16)18(21)19-11-13-7-9-24-12-13/h5-6,10,13,16H,3-4,7-9,11-12H2,1-2H3,(H,19,21)/t13-,16-/m1/s1
InChIKeyCIRKURCONPCEJV-CZUORRHYSA-N
MW334.42 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide

(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 94124370) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID94124370
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@H]2CCOC2)c1
InChIInChI=1S/C18H26N2O4/c1-22-14-5-6-17(23-2)15(10-14)16-4-3-8-20(16)18(21)19-11-13-7-9-24-12-13/h5-6,10,13,16H,3-4,7-9,11-12H2,1-2H3,(H,19,21)/t13-,16-/m1/s1
InChIKeyCIRKURCONPCEJV-CZUORRHYSA-N
XLogP2.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide
CID 60551262
N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60586832
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 60562617
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124341
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
1-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 47013445
butyl 4-[[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 55741266
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide (CID 94124370) is (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide is COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@H]2CCOC2)c1.
What is the InChIKey of (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is CIRKURCONPCEJV-CZUORRHYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-14-5-6-17(23-2)15(10-14)16-4-3-8-20(16)18(21)19-11-13-7-9-24-12-13/h5-6,10,13,16H,3-4,7-9,11-12H2,1-2H3,(H,19,21)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide?
(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94124370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).