(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide

C19H28N2O3 — CID 124621589

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[C@@H]1CCCO1
InChIInChI=1S/C19H28N2O3/c1-14-7-8-18(23-2)16(13-14)20-19(22)17-6-3-10-21(17)11-9-15-5-4-12-24-15/h7-8,13,15,17H,3-6,9-12H2,1-2H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyDYTBBKBSDBXCNU-RDJZCZTQSA-N
MW332.44 g/mol
LogP2.98
Rot. Bonds6

About (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide

(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 124621589) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID124621589
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[C@@H]1CCCO1
InChIInChI=1S/C19H28N2O3/c1-14-7-8-18(23-2)16(13-14)20-19(22)17-6-3-10-21(17)11-9-15-5-4-12-24-15/h7-8,13,15,17H,3-6,9-12H2,1-2H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyDYTBBKBSDBXCNU-RDJZCZTQSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide 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

N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119931825
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86969556
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160319
N-[N-(2-methoxy-5-methylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-4-methylbenzamide
CID 94090276
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949
1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791330

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide (CID 124621589) is (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide is COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DYTBBKBSDBXCNU-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-7-8-18(23-2)16(13-14)20-19(22)17-6-3-10-21(17)11-9-15-5-4-12-24-15/h7-8,13,15,17H,3-6,9-12H2,1-2H3,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide?
(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124621589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).