[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate

C23H32N4O7 — CID 24687309

IUPAC[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2ccc(CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N4O7/c1-4-6-11-27-21(24)20(22(30)25-23(27)31)26(12-13-32-3)18(28)14-34-19(29)15-33-17-9-7-16(5-2)8-10-17/h7-10H,4-6,11-15,24H2,1-3H3,(H,25,30,31)
InChIKeyUCQRSQFQJUSXDI-UHFFFAOYSA-N
MW476.53 g/mol
LogP1.08
Rot. Bonds13

About [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate

[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 24687309) has the molecular formula C23H32N4O7 and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID24687309
Molecular FormulaC23H32N4O7
Molecular Weight476.53 g/mol
Exact Mass476.23
IUPAC Name[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2ccc(CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N4O7/c1-4-6-11-27-21(24)20(22(30)25-23(27)31)26(12-13-32-3)18(28)14-34-19(29)15-33-17-9-7-16(5-2)8-10-17/h7-10H,4-6,11-15,24H2,1-3H3,(H,25,30,31)
InChIKeyUCQRSQFQJUSXDI-UHFFFAOYSA-N
XLogP1.08
TPSA145.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate with MolForge

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Related Compounds

Ethyl {4-[(1-ethyl-5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}acetate
CID 5663303
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 2490618
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2520949
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 2558694
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 2998952
ethyl {4-[(Z)-(5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}acetate
CID 5874829
methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490208
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenoxy)acetamide
CID 16229780
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide
CID 17429919
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 24402114
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24687724
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 24687735

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 24687309) is [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2ccc(CC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is UCQRSQFQJUSXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O7/c1-4-6-11-27-21(24)20(22(30)25-23(27)31)26(12-13-32-3)18(28)14-34-19(29)15-33-17-9-7-16(5-2)8-10-17/h7-10H,4-6,11-15,24H2,1-3H3,(H,25,30,31).
What are the key properties of [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 476.53 g/mol, XLogP of 1.08, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 24687309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).