N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide

C17H24N2O2 — CID 106319174

IUPACN,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(C(=O)c1ccccc1)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C17H24N2O2/c1-4-14(15(20)13-8-6-5-7-9-13)19-11-10-17(2,12-19)16(21)18-3/h5-9,14H,4,10-12H2,1-3H3,(H,18,21)
InChIKeyFCGDISGWIRHZKU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.11
Rot. Bonds5

About N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 106319174) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID106319174
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(C(=O)c1ccccc1)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C17H24N2O2/c1-4-14(15(20)13-8-6-5-7-9-13)19-11-10-17(2,12-19)16(21)18-3/h5-9,14H,4,10-12H2,1-3H3,(H,18,21)
InChIKeyFCGDISGWIRHZKU-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151013
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322633
1-phenyl-2-(1,4-thiazepan-4-yl)butan-1-one
CID 62030314
1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317859
1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317757
1-[1-(2-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064270
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
1-phenyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114538592
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317794
2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid
CID 106318948

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide (CID 106319174) is N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide is CCC(C(=O)c1ccccc1)N1CCC(C)(C(=O)NC)C1.
What is the InChIKey of N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is FCGDISGWIRHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14(15(20)13-8-6-5-7-9-13)19-11-10-17(2,12-19)16(21)18-3/h5-9,14H,4,10-12H2,1-3H3,(H,18,21).
What are the key properties of N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106319174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).