(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

C18H23N3O2 — CID 124628090

IUPAC(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C)c1NC(=O)N1CCC[C@H]1c1cccn1C
InChIInChI=1S/C18H23N3O2/c1-13-7-4-10-16(23-3)17(13)19-18(22)21-12-6-9-15(21)14-8-5-11-20(14)2/h4-5,7-8,10-11,15H,6,9,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyKZGQVMJGHWDJEX-HNNXBMFYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds3

About (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 124628090) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID124628090
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C)c1NC(=O)N1CCC[C@H]1c1cccn1C
InChIInChI=1S/C18H23N3O2/c1-13-7-4-10-16(23-3)17(13)19-18(22)21-12-6-9-15(21)14-8-5-11-20(14)2/h4-5,7-8,10-11,15H,6,9,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyKZGQVMJGHWDJEX-HNNXBMFYSA-N
XLogP3.71
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (CID 124628090) is (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is COc1cccc(C)c1NC(=O)N1CCC[C@H]1c1cccn1C.
What is the InChIKey of (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is KZGQVMJGHWDJEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-7-4-10-16(23-3)17(13)19-18(22)21-12-6-9-15(21)14-8-5-11-20(14)2/h4-5,7-8,10-11,15H,6,9,12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124628090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).