N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide

C21H30N4O5 — CID 16550127

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O5/c1-5-6-10-25-18(22)17(19(26)23-21(25)28)24(11-12-29-4)20(27)15(3)30-16-9-7-8-14(2)13-16/h7-9,13,15H,5-6,10-12,22H2,1-4H3,(H,23,26,28)
InChIKeyBAWJQZVCYRDNFQ-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.67
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide (PubChem CID 16550127) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
PubChem CID16550127
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O5/c1-5-6-10-25-18(22)17(19(26)23-21(25)28)24(11-12-29-4)20(27)15(3)30-16-9-7-8-14(2)13-16/h7-9,13,15H,5-6,10-12,22H2,1-4H3,(H,23,26,28)
InChIKeyBAWJQZVCYRDNFQ-UHFFFAOYSA-N
XLogP1.67
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.67
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)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide (CID 16550127) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide is CCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is BAWJQZVCYRDNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-5-6-10-25-18(22)17(19(26)23-21(25)28)24(11-12-29-4)20(27)15(3)30-16-9-7-8-14(2)13-16/h7-9,13,15H,5-6,10-12,22H2,1-4H3,(H,23,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 418.49 g/mol, XLogP of 1.67, 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)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 16550127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).