2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide

C23H35N5O4 — CID 55504769

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 55504769) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
• PubChem CID: 55504769
• Molecular Formula: C23H35N5O4
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.27
• IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
• SMILES: CCCCn1c(N)c(N(CCOC)CC(=O)NC(c2ccccc2)C(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H35N5O4/c1-5-6-12-28-21(24)20(22(30)26-23(28)31)27(13-14-32-4)15-18(29)25-19(16(2)3)17-10-8-7-9-11-17/h7-11,16,19H,5-6,12-15,24H2,1-4H3,(H,25,29)(H,26,30,31)
• InChIKey: IVMPFTQTXKYPQA-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 122.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?

The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide (CID 55504769) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide.

What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?

The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide is CCCCn1c(N)c(N(CCOC)CC(=O)NC(c2ccccc2)C(C)C)c(=O)[nH]c1=O.

What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?

The InChIKey is IVMPFTQTXKYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-5-6-12-28-21(24)20(22(30)26-23(28)31)27(13-14-32-4)15-18(29)25-19(16(2)3)17-10-8-7-9-11-17/h7-11,16,19H,5-6,12-15,24H2,1-4H3,(H,25,29)(H,26,30,31).

What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide?

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 445.56 g/mol, XLogP of 1.89, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 55504769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).