3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide

C23H25N3O4 — CID 57385498

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O4/c1-22(2,25-20(28)14-16-26-15-13-19(27)24-21(26)29)23(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15,30H,14,16H2,1-2H3,(H,25,28)(H,24,27,29)
InChIKeyVBZOTSGGOJSAFY-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.76
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide (PubChem CID 57385498) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide
PubChem CID57385498
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N3O4/c1-22(2,25-20(28)14-16-26-15-13-19(27)24-21(26)29)23(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15,30H,14,16H2,1-2H3,(H,25,28)(H,24,27,29)
InChIKeyVBZOTSGGOJSAFY-UHFFFAOYSA-N
XLogP1.76
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-({(2r)-2-[hydroxy(Diphenyl)methyl]pyrrolidin-1-Yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-Dione
CID 49786956
1-[4-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45107976
1-[4-[(2S)-2-[bis(4-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108053
1-[4-[(2S)-2-[bis(3-fluorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108085
N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
CID 164618121
1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 57386015
4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide
CID 44622389
1-[4-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108087
4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide
CID 57385744
1-[3-[2-[Hydroxy(diphenyl)methyl]pyrrolidin-1-yl]sulfonylpropyl]pyrimidine-2,4-dione
CID 67021901
1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]sulfonylpropyl]pyrimidine-2,4-dione
CID 57386270
N-[(1R)-2-hydroxy-1-methyl-2,2-diphenylethyl]-N'-(1-methylpiperidin-4-yl)urea
CID 121500274

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide (CID 57385498) is 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide is CC(C)(NC(=O)CCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide?
The InChIKey is VBZOTSGGOJSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-22(2,25-20(28)14-16-26-15-13-19(27)24-21(26)29)23(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15,30H,14,16H2,1-2H3,(H,25,28)(H,24,27,29).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide has a molecular weight of 407.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide is sourced from PubChem (CID 57385498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).