N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide

C17H24N2O2 — CID 110736896

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
SMILESCC(C)(C)N1CC(NC(=O)CCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-17(2,3)19-12-14(11-16(19)21)18-15(20)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
InChIKeyFFOFUZZAVHBKDI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.13
Rot. Bonds4

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide (PubChem CID 110736896) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
PubChem CID110736896
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
SMILESCC(C)(C)N1CC(NC(=O)CCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-17(2,3)19-12-14(11-16(19)21)18-15(20)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
InChIKeyFFOFUZZAVHBKDI-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
CID 119343413
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-phenylacetamide
CID 119343401
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108876341

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide (CID 110736896) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide is CC(C)(C)N1CC(NC(=O)CCc2ccccc2)CC1=O.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
The InChIKey is FFOFUZZAVHBKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)19-12-14(11-16(19)21)18-15(20)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 110736896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).