3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide

C18H24N2O3 — CID 35009959

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
SMILESCC(C)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-13(2)15(14-6-4-3-5-7-14)12-19-16(21)10-11-20-17(22)8-9-18(20)23/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeySAFCUZRVTVSCQT-HNNXBMFYSA-N
MW316.40 g/mol
LogP2.08
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide (PubChem CID 35009959) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
PubChem CID35009959
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
SMILESCC(C)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-13(2)15(14-6-4-3-5-7-14)12-19-16(21)10-11-20-17(22)8-9-18(20)23/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeySAFCUZRVTVSCQT-HNNXBMFYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 8912251
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 51093653
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94819543
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide (CID 35009959) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide is CC(C)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide?
The InChIKey is SAFCUZRVTVSCQT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)15(14-6-4-3-5-7-14)12-19-16(21)10-11-20-17(22)8-9-18(20)23/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide is sourced from PubChem (CID 35009959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).