N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C24H25N5O5 — CID 55630643

About N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55630643) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
• PubChem CID: 55630643
• Molecular Formula: C24H25N5O5
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
• SMILES: CN(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H25N5O5/c1-28(19(30)14-34-18-9-5-8-17(12-18)26-22(31)16-10-11-16)20-21(25)29(24(33)27-23(20)32)13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14,25H2,1H3,(H,26,31)(H,27,32,33)
• InChIKey: WJOTZLWPJJOFRR-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 139.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?

The IUPAC name of N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55630643) is N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?

The canonical SMILES for N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CN(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.

What is the InChIKey of N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?

The InChIKey is WJOTZLWPJJOFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-28(19(30)14-34-18-9-5-8-17(12-18)26-22(31)16-10-11-16)20-21(25)29(24(33)27-23(20)32)13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13-14,25H2,1H3,(H,26,31)(H,27,32,33).

What are the key properties of N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?

N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 463.49 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).