N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide

C24H26N4O5 — CID 43059470

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C24H26N4O5/c1-3-14-33-19-11-9-18(10-12-19)23(30)27(13-15-32-2)20-21(25)28(24(31)26-22(20)29)16-17-7-5-4-6-8-17/h3-12H,1,13-16,25H2,2H3,(H,26,29,31)
InChIKeyOOYAXMFDGWEBDF-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.03
Rot. Bonds10

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide (PubChem CID 43059470) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide
PubChem CID43059470
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C24H26N4O5/c1-3-14-33-19-11-9-18(10-12-19)23(30)27(13-15-32-2)20-21(25)28(24(31)26-22(20)29)16-17-7-5-4-6-8-17/h3-12H,1,13-16,25H2,2H3,(H,26,29,31)
InChIKeyOOYAXMFDGWEBDF-UHFFFAOYSA-N
XLogP2.03
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
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N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 31905577
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 52895438
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)acetamide
CID 2366653
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethoxy)-3-methoxy-N-(2-methoxyethyl)benzamide
CID 26120344
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 71904469
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 26120873
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenoxybenzamide
CID 26175958
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide
CID 16548964
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 42970323

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide (CID 43059470) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide?
The InChIKey is OOYAXMFDGWEBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-3-14-33-19-11-9-18(10-12-19)23(30)27(13-15-32-2)20-21(25)28(24(31)26-22(20)29)16-17-7-5-4-6-8-17/h3-12H,1,13-16,25H2,2H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide has a molecular weight of 450.50 g/mol, XLogP of 2.03, 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-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 43059470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).