4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide

C22H25N3O3 — CID 57385741

IUPAC4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide
SMILESCC(C)(Cc1ccc2ccccc2c1)NC(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C22H25N3O3/c1-22(2,15-16-9-10-17-6-3-4-7-18(17)14-16)24-20(27)8-5-12-25-13-11-19(26)23-21(25)28/h3-4,6-7,9-11,13-14H,5,8,12,15H2,1-2H3,(H,24,27)(H,23,26,28)
InChIKeyMFACTHNJCQCJCZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.61
Rot. Bonds7

About 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide

4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide (PubChem CID 57385741) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide
PubChem CID57385741
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide
SMILESCC(C)(Cc1ccc2ccccc2c1)NC(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C22H25N3O3/c1-22(2,15-16-9-10-17-6-3-4-7-18(17)14-16)24-20(27)8-5-12-25-13-11-19(26)23-21(25)28/h3-4,6-7,9-11,13-14H,5,8,12,15H2,1-2H3,(H,24,27)(H,23,26,28)
InChIKeyMFACTHNJCQCJCZ-UHFFFAOYSA-N
XLogP2.61
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
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-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide?
The IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide (CID 57385741) is 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide is CC(C)(Cc1ccc2ccccc2c1)NC(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide?
The InChIKey is MFACTHNJCQCJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,15-16-9-10-17-6-3-4-7-18(17)14-16)24-20(27)8-5-12-25-13-11-19(26)23-21(25)28/h3-4,6-7,9-11,13-14H,5,8,12,15H2,1-2H3,(H,24,27)(H,23,26,28).
What are the key properties of 4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide?
4-(2,4-dioxopyrimidin-1-yl)-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide has a molecular weight of 379.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 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-methyl-1-naphthalen-2-ylpropan-2-yl)butanamide is sourced from PubChem (CID 57385741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).