(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide

C19H25N3O4 — CID 1443364

IUPAC(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C19H25N3O4/c1-13(23)14-5-2-6-15(11-14)21-19(25)22-9-3-8-17(22)18(24)20-12-16-7-4-10-26-16/h2,5-6,11,16-17H,3-4,7-10,12H2,1H3,(H,20,24)(H,21,25)/t16-,17+/m1/s1
InChIKeySVRRCGBLNFKGBF-SJORKVTESA-N
MW359.43 g/mol
LogP2.18
Rot. Bonds5

About (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1443364) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1443364
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C19H25N3O4/c1-13(23)14-5-2-6-15(11-14)21-19(25)22-9-3-8-17(22)18(24)20-12-16-7-4-10-26-16/h2,5-6,11,16-17H,3-4,7-10,12H2,1H3,(H,20,24)(H,21,25)/t16-,17+/m1/s1
InChIKeySVRRCGBLNFKGBF-SJORKVTESA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-N-(4-ethoxyphenyl)-2-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443229
(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443493
(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443384
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
(2S)-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 92895046
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443458
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide (CID 1443364) is (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is SVRRCGBLNFKGBF-SJORKVTESA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(23)14-5-2-6-15(11-14)21-19(25)22-9-3-8-17(22)18(24)20-12-16-7-4-10-26-16/h2,5-6,11,16-17H,3-4,7-10,12H2,1H3,(H,20,24)(H,21,25)/t16-,17+/m1/s1.
What are the key properties of (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).