N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

C20H28N2O3 — CID 70745092

IUPACN-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@H]1C(C)C
InChIInChI=1S/C20H28N2O3/c1-14(2)17-12-22(13-18(17)21-15(3)23)20(25)11-7-10-19(24)16-8-5-4-6-9-16/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyCXGKQGGVJHBJIB-ZWKOTPCHSA-N
MW344.45 g/mol
LogP2.66
Rot. Bonds7

About N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70745092) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70745092
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@H]1C(C)C
InChIInChI=1S/C20H28N2O3/c1-14(2)17-12-22(13-18(17)21-15(3)23)20(25)11-7-10-19(24)16-8-5-4-6-9-16/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyCXGKQGGVJHBJIB-ZWKOTPCHSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1-[4-(4-fluorophenyl)butanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70777047
N-[(3S,4R)-1-[3-(3-fluorophenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70731741
N-[4-(hydroxymethyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]acetamide
CID 171142649
1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
CID 121186913
1-[(3R,4S)-4-hydroxy-1-(5-oxo-5-phenylpentanoyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134704035
3-[1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 156606821
1-phenylheptane-1,6-dione
CID 11333176
1-[3-(dimethylamino)azepan-1-yl]-5-phenylpentane-1,5-dione
CID 78087224
6-methyl-1-phenylheptan-1-one
CID 64505975
1-phenyldodecane-1,11-dione
CID 13147766
1-phenyloctadecane-1,17-dione
CID 70545901
1-(3,4-dimethylpyrrolidin-1-yl)-3-phenylpropane-1,3-dione
CID 538629

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70745092) is N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is CXGKQGGVJHBJIB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)17-12-22(13-18(17)21-15(3)23)20(25)11-7-10-19(24)16-8-5-4-6-9-16/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(5-oxo-5-phenylpentanoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70745092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).