2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide

C17H21N3O3 — CID 60530152

IUPAC2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
SMILESCC(C)(C#N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H21N3O3/c1-17(2,12-18)16(22)19-13-6-5-7-14(10-13)23-11-15(21)20-8-3-4-9-20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,22)
InChIKeyYYAAVNJAWOQXNV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.18
Rot. Bonds5

About 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide

2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide (PubChem CID 60530152) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
PubChem CID60530152
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
SMILESCC(C)(C#N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H21N3O3/c1-17(2,12-18)16(22)19-13-6-5-7-14(10-13)23-11-15(21)20-8-3-4-9-20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,22)
InChIKeyYYAAVNJAWOQXNV-UHFFFAOYSA-N
XLogP2.18
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075528

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide (CID 60530152) is 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide is CC(C)(C#N)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
The InChIKey is YYAAVNJAWOQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,12-18)16(22)19-13-6-5-7-14(10-13)23-11-15(21)20-8-3-4-9-20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide?
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 60530152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).