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

C25H30N4O6 — CID 16550921

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)COc2ccccc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C25H30N4O6/c1-4-5-14-28-23(26)22(24(31)27-25(28)32)29(15-17-10-6-7-11-18(17)33-2)21(30)16-35-20-13-9-8-12-19(20)34-3/h6-13H,4-5,14-16,26H2,1-3H3,(H,27,31,32)
InChIKeyCSGHCQVAVOLAOT-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.55
Rot. Bonds11

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 16550921) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID16550921
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)COc2ccccc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C25H30N4O6/c1-4-5-14-28-23(26)22(24(31)27-25(28)32)29(15-17-10-6-7-11-18(17)33-2)21(30)16-35-20-13-9-8-12-19(20)34-3/h6-13H,4-5,14-16,26H2,1-3H3,(H,27,31,32)
InChIKeyCSGHCQVAVOLAOT-UHFFFAOYSA-N
XLogP2.55
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide (CID 16550921) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide is CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)COc2ccccc2OC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is CSGHCQVAVOLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-4-5-14-28-23(26)22(24(31)27-25(28)32)29(15-17-10-6-7-11-18(17)33-2)21(30)16-35-20-13-9-8-12-19(20)34-3/h6-13H,4-5,14-16,26H2,1-3H3,(H,27,31,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 482.54 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16550921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).