(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide

C19H28N2O3 — CID 95330807

IUPAC(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C(C)C)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-4-16(24-17-10-6-5-9-15(17)14(2)3)19(23)20-13-18(22)21-11-7-8-12-21/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyGMQQZCMOPSIYJG-INIZCTEOSA-N
MW332.44 g/mol
LogP2.71
Rot. Bonds7

About (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide

(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide (PubChem CID 95330807) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide
PubChem CID95330807
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1C(C)C)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-4-16(24-17-10-6-5-9-15(17)14(2)3)19(23)20-13-18(22)21-11-7-8-12-21/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyGMQQZCMOPSIYJG-INIZCTEOSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86944834
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
CID 17150566
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86894026
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165284
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-propan-2-ylphenoxy)butan-1-one;hydrochloride
CID 120804732
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide?
The IUPAC name of (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide (CID 95330807) is (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide is CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide?
The InChIKey is GMQQZCMOPSIYJG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-16(24-17-10-6-5-9-15(17)14(2)3)19(23)20-13-18(22)21-11-7-8-12-21/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide?
(2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 95330807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).