N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide

C25H24N4O5 — CID 2474431

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide
SMILESNc1c(N(CCO)C(=O)COc2ccc3ccccc3c2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H24N4O5/c26-23-22(24(32)27-25(33)29(23)15-17-6-2-1-3-7-17)28(12-13-30)21(31)16-34-20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,30H,12-13,15-16,26H2,(H,27,32,33)
InChIKeyGSEHFHLQWCSUOI-UHFFFAOYSA-N
MW460.49 g/mol
LogP1.72
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 2474431) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide
PubChem CID2474431
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide
SMILESNc1c(N(CCO)C(=O)COc2ccc3ccccc3c2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H24N4O5/c26-23-22(24(32)27-25(33)29(23)15-17-6-2-1-3-7-17)28(12-13-30)21(31)16-34-20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,30H,12-13,15-16,26H2,(H,27,32,33)
InChIKeyGSEHFHLQWCSUOI-UHFFFAOYSA-N
XLogP1.72
TPSA130.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide with MolForge

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
CID 16614219
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenoxyacetamide
CID 4805512
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-hydroxypropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2087853
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 42970323
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 8801057
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide
CID 4805502
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 25162119
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 24687984

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide (CID 2474431) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide is Nc1c(N(CCO)C(=O)COc2ccc3ccccc3c2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is GSEHFHLQWCSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c26-23-22(24(32)27-25(33)29(23)15-17-6-2-1-3-7-17)28(12-13-30)21(31)16-34-20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,30H,12-13,15-16,26H2,(H,27,32,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 460.49 g/mol, XLogP of 1.72, 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-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 2474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).