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

C18H22N4O3 — CID 134050105

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C18H22N4O3/c23-16-8-11-22(18(25)20-16)13-17(24)19-15(12-21-9-4-5-10-21)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)
InChIKeyVSNUFYCSZBUONT-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.49
Rot. Bonds6

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

2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 134050105) 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-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID134050105
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C18H22N4O3/c23-16-8-11-22(18(25)20-16)13-17(24)19-15(12-21-9-4-5-10-21)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)
InChIKeyVSNUFYCSZBUONT-UHFFFAOYSA-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

2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 52511313
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 42927482
6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642049
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 134050105) is 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VSNUFYCSZBUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-8-11-22(18(25)20-16)13-17(24)19-15(12-21-9-4-5-10-21)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).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(1-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-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 134050105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).