4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide

C23H25N3O4 — CID 57385744

IUPAC4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide
SMILESCN(CC(O)(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O4/c1-25(21(28)13-8-15-26-16-14-20(27)24-22(26)29)17-23(30,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,30H,8,13,15,17H2,1H3,(H,24,27,29)
InChIKeyVBSCTKPLYOQPSI-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.71
Rot. Bonds8

About 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide

4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide (PubChem CID 57385744) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide
PubChem CID57385744
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide
SMILESCN(CC(O)(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O4/c1-25(21(28)13-8-15-26-16-14-20(27)24-22(26)29)17-23(30,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,30H,8,13,15,17H2,1H3,(H,24,27,29)
InChIKeyVBSCTKPLYOQPSI-UHFFFAOYSA-N
XLogP1.71
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide?
The IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide (CID 57385744) is 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide.
What is the SMILES notation for 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide?
The canonical SMILES for 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide is CN(CC(O)(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide?
The InChIKey is VBSCTKPLYOQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-25(21(28)13-8-15-26-16-14-20(27)24-22(26)29)17-23(30,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,30H,8,13,15,17H2,1H3,(H,24,27,29).
What are the key properties of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide?
4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide has a molecular weight of 407.47 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-2,2-diphenylethyl)-N-methylbutanamide is sourced from PubChem (CID 57385744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).