2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide

C19H27N3O3 — CID 32756509

IUPAC2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)18(25)20-11-5-9-16(23)21-14-7-4-8-15(13-14)22-12-6-10-17(22)24/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,25)(H,21,23)
InChIKeyFVSVCPBFFUUDMI-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.69
Rot. Bonds6

About 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide (PubChem CID 32756509) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
PubChem CID32756509
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)18(25)20-11-5-9-16(23)21-14-7-4-8-15(13-14)22-12-6-10-17(22)24/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,25)(H,21,23)
InChIKeyFVSVCPBFFUUDMI-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
CID 55717079
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17423799
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17449983
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide (CID 32756509) is 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide is CC(C)(C)C(=O)NCCCC(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide?
The InChIKey is FVSVCPBFFUUDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)18(25)20-11-5-9-16(23)21-14-7-4-8-15(13-14)22-12-6-10-17(22)24/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,25)(H,21,23).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide is sourced from PubChem (CID 32756509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).