N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C15H24N4O4 — CID 58903954

IUPACN-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N(CCN)CC(=O)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-10-7-19(14(23)17-13(10)22)9-12(21)18(6-5-16)8-11(20)15(2,3)4/h7H,5-6,8-9,16H2,1-4H3,(H,17,22,23)
InChIKeyAEMAHUFLSDDEAT-UHFFFAOYSA-N
MW324.38 g/mol
LogP-0.75
Rot. Bonds6

About N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 58903954) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID58903954
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)N(CCN)CC(=O)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-10-7-19(14(23)17-13(10)22)9-12(21)18(6-5-16)8-11(20)15(2,3)4/h7H,5-6,8-9,16H2,1-4H3,(H,17,22,23)
InChIKeyAEMAHUFLSDDEAT-UHFFFAOYSA-N
XLogP-0.75
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 58903954) is N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)N(CCN)CC(=O)C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is AEMAHUFLSDDEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-10-7-19(14(23)17-13(10)22)9-12(21)18(6-5-16)8-11(20)15(2,3)4/h7H,5-6,8-9,16H2,1-4H3,(H,17,22,23).
What are the key properties of N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 58903954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).