(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide

C18H22N2O3 — CID 95616837

IUPAC(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide
SMILESC#CCOc1cccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c1
InChIInChI=1S/C18H22N2O3/c1-4-11-23-15-8-5-7-14(12-15)19-18(22)17(13(2)3)20-10-6-9-16(20)21/h1,5,7-8,12-13,17H,6,9-11H2,2-3H3,(H,19,22)/t17-/m1/s1
InChIKeyFXJFLXUMSGQDRT-QGZVFWFLSA-N
MW314.38 g/mol
LogP2.28
Rot. Bonds6

About (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide

(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide (PubChem CID 95616837) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide
PubChem CID95616837
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide
SMILESC#CCOc1cccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c1
InChIInChI=1S/C18H22N2O3/c1-4-11-23-15-8-5-7-14(12-15)19-18(22)17(13(2)3)20-10-6-9-16(20)21/h1,5,7-8,12-13,17H,6,9-11H2,2-3H3,(H,19,22)/t17-/m1/s1
InChIKeyFXJFLXUMSGQDRT-QGZVFWFLSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
methyl N-(3-prop-2-ynoxyphenyl)carbamate
CID 137320753
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60620056
3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60619705
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenoxyphenyl)ethyl]butanamide
CID 60621260
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
CID 60622068
(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813858

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide?
The IUPAC name of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide (CID 95616837) is (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide?
The canonical SMILES for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide is C#CCOc1cccc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c1.
What is the InChIKey of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide?
The InChIKey is FXJFLXUMSGQDRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-11-23-15-8-5-7-14(12-15)19-18(22)17(13(2)3)20-10-6-9-16(20)21/h1,5,7-8,12-13,17H,6,9-11H2,2-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide?
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide has a molecular weight of 314.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide is sourced from PubChem (CID 95616837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).