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

C24H27N3O4 — CID 44622389

IUPAC4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide
SMILESCC(C)(NC(=O)CCCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-23(2,26-21(29)14-9-16-27-17-15-20(28)25-22(27)30)24(31,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,31H,9,14,16H2,1-2H3,(H,26,29)(H,25,28,30)
InChIKeyUCERYSPYTNHWCC-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.15
Rot. Bonds8

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

4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide (PubChem CID 44622389) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide
PubChem CID44622389
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide
SMILESCC(C)(NC(=O)CCCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-23(2,26-21(29)14-9-16-27-17-15-20(28)25-22(27)30)24(31,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,31H,9,14,16H2,1-2H3,(H,26,29)(H,25,28,30)
InChIKeyUCERYSPYTNHWCC-UHFFFAOYSA-N
XLogP2.15
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.15
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
1-[4-[(2S)-2-[bis(3-chlorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 57385745
N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
CID 164618121
1-[4-[(2S)-2-[bis(4-chlorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]pyrimidine-2,4-dione
CID 45108054
1-[3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 57386015
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
3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide
CID 57385498

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide?
The IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide (CID 44622389) is 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide?
The canonical SMILES for 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide is CC(C)(NC(=O)CCCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide?
The InChIKey is UCERYSPYTNHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-23(2,26-21(29)14-9-16-27-17-15-20(28)25-22(27)30)24(31,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,31H,9,14,16H2,1-2H3,(H,26,29)(H,25,28,30).
What are the key properties of 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide?
4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide has a molecular weight of 421.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide is sourced from PubChem (CID 44622389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).