N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C13H20N4O5 — CID 30542638

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCOCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O5/c1-8-9(12(20)17-13(21)16-8)3-4-10(18)15-7-11(19)14-5-6-22-2/h3-7H2,1-2H3,(H,14,19)(H,15,18)(H2,16,17,20,21)
InChIKeyZLDQOXDNBKQLCP-UHFFFAOYSA-N
MW312.33 g/mol
LogP-1.82
Rot. Bonds8

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 30542638) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID30542638
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCOCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O5/c1-8-9(12(20)17-13(21)16-8)3-4-10(18)15-7-11(19)14-5-6-22-2/h3-7H2,1-2H3,(H,14,19)(H,15,18)(H2,16,17,20,21)
InChIKeyZLDQOXDNBKQLCP-UHFFFAOYSA-N
XLogP-1.82
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 30542638) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is COCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is ZLDQOXDNBKQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-8-9(12(20)17-13(21)16-8)3-4-10(18)15-7-11(19)14-5-6-22-2/h3-7H2,1-2H3,(H,14,19)(H,15,18)(H2,16,17,20,21).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 312.33 g/mol, XLogP of -1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 30542638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).