3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide

C21H23N3O3 — CID 52507961

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
SMILESC[C@H](Nc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(16-5-3-2-4-6-16)22-17-7-9-18(10-8-17)23-19(25)13-14-24-20(26)11-12-21(24)27/h2-10,15,22H,11-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyAFUBMUIXAIWJTG-HNNXBMFYSA-N
MW365.43 g/mol
LogP3.34
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide (PubChem CID 52507961) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
PubChem CID52507961
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
SMILESC[C@H](Nc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-15(16-5-3-2-4-6-16)22-17-7-9-18(10-8-17)23-19(25)13-14-24-20(26)11-12-21(24)27/h2-10,15,22H,11-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyAFUBMUIXAIWJTG-HNNXBMFYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-3-methyl-2-phenylbutyl]propanamide
CID 35009959
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
CID 124565645
N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
CID 48500520

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide (CID 52507961) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide is C[C@H](Nc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1)c1ccccc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
The InChIKey is AFUBMUIXAIWJTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(16-5-3-2-4-6-16)22-17-7-9-18(10-8-17)23-19(25)13-14-24-20(26)11-12-21(24)27/h2-10,15,22H,11-14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide is sourced from PubChem (CID 52507961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).