(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide

C19H27N3O4 — CID 1443229

IUPAC(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
InChIKeyQBLUXRUKRCNVTH-DLBZAZTESA-N
MW361.44 g/mol
LogP2.38
Rot. Bonds6

About (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1443229) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1443229
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
InChIKeyQBLUXRUKRCNVTH-DLBZAZTESA-N
XLogP2.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443364
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2913013
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 123132459
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide (CID 1443229) is (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QBLUXRUKRCNVTH-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1.
What are the key properties of (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).