2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C18H22N4O3 — CID 94454428

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C18H22N4O3/c23-16-8-11-22(18(25)20-16)13-17(24)19-12-15(21-9-4-5-10-21)14-6-2-1-3-7-14/h1-3,6-8,11,15H,4-5,9-10,12-13H2,(H,19,24)(H,20,23,25)/t15-/m1/s1
InChIKeyBWVRSXLWQBEYRR-OAHLLOKOSA-N
MW342.40 g/mol
LogP0.49
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 94454428) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID94454428
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C18H22N4O3/c23-16-8-11-22(18(25)20-16)13-17(24)19-12-15(21-9-4-5-10-21)14-6-2-1-3-7-14/h1-3,6-8,11,15H,4-5,9-10,12-13H2,(H,19,24)(H,20,23,25)/t15-/m1/s1
InChIKeyBWVRSXLWQBEYRR-OAHLLOKOSA-N
XLogP0.49
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 126448414
2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 134050105
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131895345
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 78791561
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 99932037
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 92614239
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367142
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 46603243

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 94454428) is 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is BWVRSXLWQBEYRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-8-11-22(18(25)20-16)13-17(24)19-12-15(21-9-4-5-10-21)14-6-2-1-3-7-14/h1-3,6-8,11,15H,4-5,9-10,12-13H2,(H,19,24)(H,20,23,25)/t15-/m1/s1.
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 94454428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).