N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide

C20H27ClN4O5 — CID 24980456

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H27ClN4O5/c1-4-5-10-25-17(22)16(18(26)23-20(25)28)24(11-12-29-3)19(27)13(2)30-15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,26,28)
InChIKeyYXQMPYFBZIWDHP-UHFFFAOYSA-N
MW438.91 g/mol
LogP2.02
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 24980456) has the molecular formula C20H27ClN4O5 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID24980456
Molecular FormulaC20H27ClN4O5
Molecular Weight438.91 g/mol
Exact Mass438.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H27ClN4O5/c1-4-5-10-25-17(22)16(18(26)23-20(25)28)24(11-12-29-3)19(27)13(2)30-15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,26,28)
InChIKeyYXQMPYFBZIWDHP-UHFFFAOYSA-N
XLogP2.02
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide (CID 24980456) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide is CCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is YXQMPYFBZIWDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O5/c1-4-5-10-25-17(22)16(18(26)23-20(25)28)24(11-12-29-3)19(27)13(2)30-15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 438.91 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 24980456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).