N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide

C17H20N2O4 — CID 95774368

IUPACN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C1C[C@@H](Cc2ccc(NC(=O)C[C@@H]3CCCO3)cc2)C(=O)N1
InChIInChI=1S/C17H20N2O4/c20-15-9-12(17(22)19-15)8-11-3-5-13(6-4-11)18-16(21)10-14-2-1-7-23-14/h3-6,12,14H,1-2,7-10H2,(H,18,21)(H,19,20,22)/t12-,14+/m1/s1
InChIKeySUQVONOVLCLQIT-OCCSQVGLSA-N
MW316.36 g/mol
LogP1.40
Rot. Bonds5

About N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 95774368) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID95774368
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C1C[C@@H](Cc2ccc(NC(=O)C[C@@H]3CCCO3)cc2)C(=O)N1
InChIInChI=1S/C17H20N2O4/c20-15-9-12(17(22)19-15)8-11-3-5-13(6-4-11)18-16(21)10-14-2-1-7-23-14/h3-6,12,14H,1-2,7-10H2,(H,18,21)(H,19,20,22)/t12-,14+/m1/s1
InChIKeySUQVONOVLCLQIT-OCCSQVGLSA-N
XLogP1.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.40
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-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 120794532
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 96507817
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-3-methylbutanamide
CID 119332298
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-methylpentanamide
CID 119798822
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
CID 56794258
N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide
CID 98182970
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 95774368) is N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide is O=C1C[C@@H](Cc2ccc(NC(=O)C[C@@H]3CCCO3)cc2)C(=O)N1.
What is the InChIKey of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is SUQVONOVLCLQIT-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-9-12(17(22)19-15)8-11-3-5-13(6-4-11)18-16(21)10-14-2-1-7-23-14/h3-6,12,14H,1-2,7-10H2,(H,18,21)(H,19,20,22)/t12-,14+/m1/s1.
What are the key properties of N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95774368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).