N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide

C22H28N6O5 — CID 55339235

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCCn1c(N)c(N(C)C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O5/c1-4-6-12-27-17(23)16(18(30)24-20(27)32)26(3)15(29)13-28-19(31)22(5-2,25-21(28)33)14-10-8-7-9-11-14/h7-11H,4-6,12-13,23H2,1-3H3,(H,25,33)(H,24,30,32)
InChIKeyUMEOIMUNFZHSKO-UHFFFAOYSA-N
MW456.50 g/mol
LogP0.74
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide (PubChem CID 55339235) has the molecular formula C22H28N6O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
PubChem CID55339235
Molecular FormulaC22H28N6O5
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCCn1c(N)c(N(C)C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O5/c1-4-6-12-27-17(23)16(18(30)24-20(27)32)26(3)15(29)13-28-19(31)22(5-2,25-21(28)33)14-10-8-7-9-11-14/h7-11H,4-6,12-13,23H2,1-3H3,(H,25,33)(H,24,30,32)
InChIKeyUMEOIMUNFZHSKO-UHFFFAOYSA-N
XLogP0.74
TPSA150.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42906788
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24983201
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55380567
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
CID 55433414
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55339175
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 17402356
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2582395
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-benzhydryl-N-methylacetamide
CID 55498315
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 39911260
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide (CID 55339235) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide is CCCCn1c(N)c(N(C)C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is UMEOIMUNFZHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O5/c1-4-6-12-27-17(23)16(18(30)24-20(27)32)26(3)15(29)13-28-19(31)22(5-2,25-21(28)33)14-10-8-7-9-11-14/h7-11H,4-6,12-13,23H2,1-3H3,(H,25,33)(H,24,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 456.50 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 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-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 55339235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).