(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide

C19H28N2O3 — CID 70788441

IUPAC(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C19H28N2O3/c1-4-20-17(22)16-9-6-12-21(16)18(23)15-8-5-7-14(13-15)10-11-19(2,3)24/h5,7-8,13,16,24H,4,6,9-12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyIVRMCTXCBWMRMO-INIZCTEOSA-N
MW332.44 g/mol
LogP2.13
Rot. Bonds6

About (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide

(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 70788441) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID70788441
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C19H28N2O3/c1-4-20-17(22)16-9-6-12-21(16)18(23)15-8-5-7-14(13-15)10-11-19(2,3)24/h5,7-8,13,16,24H,4,6,9-12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyIVRMCTXCBWMRMO-INIZCTEOSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]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-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70738477
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 70705549
1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
CID 68685528
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176
[3-(3-hydroxy-3-methylbutyl)phenyl]-[(2R)-2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 95867561
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 70770536
(2S)-1-[3-(methylsulfinylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365189
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide
CID 51078226

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide (CID 70788441) is (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is IVRMCTXCBWMRMO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-20-17(22)16-9-6-12-21(16)18(23)15-8-5-7-14(13-15)10-11-19(2,3)24/h5,7-8,13,16,24H,4,6,9-12H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70788441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).