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

C23H25N3O3 — CID 44622388

IUPAC4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide
SMILESCN(CC(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O3/c1-25(22(28)13-8-15-26-16-14-21(27)24-23(26)29)17-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,20H,8,13,15,17H2,1H3,(H,24,27,29)
InChIKeyUQSCOWQFVPVPRU-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.61
Rot. Bonds8

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

4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide (PubChem CID 44622388) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide
PubChem CID44622388
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide
SMILESCN(CC(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O3/c1-25(22(28)13-8-15-26-16-14-21(27)24-23(26)29)17-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,20H,8,13,15,17H2,1H3,(H,24,27,29)
InChIKeyUQSCOWQFVPVPRU-UHFFFAOYSA-N
XLogP2.61
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide?
The IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide (CID 44622388) is 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide.
What is the SMILES notation for 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide?
The canonical SMILES for 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide is CN(CC(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide?
The InChIKey is UQSCOWQFVPVPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25(22(28)13-8-15-26-16-14-21(27)24-23(26)29)17-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,20H,8,13,15,17H2,1H3,(H,24,27,29).
What are the key properties of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide?
4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide has a molecular weight of 391.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxopyrimidin-1-yl)-N-(2,2-diphenylethyl)-N-methylbutanamide is sourced from PubChem (CID 44622388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).