2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide

C17H22N2O4 — CID 124626029

IUPAC2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
SMILESC[C@H]1C[C@H](NC(=O)CC2OCCCO2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-12-10-14(17(21)19(12)13-6-3-2-4-7-13)18-15(20)11-16-22-8-5-9-23-16/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H,18,20)/t12-,14-/m0/s1
InChIKeyZNLVWIJBRNIHFS-JSGCOSHPSA-N
MW318.37 g/mol
LogP1.45
Rot. Bonds4

About 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide

2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide (PubChem CID 124626029) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
PubChem CID124626029
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
SMILESC[C@H]1C[C@H](NC(=O)CC2OCCCO2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-12-10-14(17(21)19(12)13-6-3-2-4-7-13)18-15(20)11-16-22-8-5-9-23-16/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H,18,20)/t12-,14-/m0/s1
InChIKeyZNLVWIJBRNIHFS-JSGCOSHPSA-N
XLogP1.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806323
3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
CID 125120172
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97002603
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 97002604
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120795162

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide (CID 124626029) is 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide is C[C@H]1C[C@H](NC(=O)CC2OCCCO2)C(=O)N1c1ccccc1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is ZNLVWIJBRNIHFS-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-10-14(17(21)19(12)13-6-3-2-4-7-13)18-15(20)11-16-22-8-5-9-23-16/h2-4,6-7,12,14,16H,5,8-11H2,1H3,(H,18,20)/t12-,14-/m0/s1.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide?
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 124626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).