N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide

C27H34N4O5 — CID 16548948

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)CCOc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H34N4O5/c1-27(2,3)20-10-12-21(13-11-20)36-16-14-22(32)31(18-19-8-6-5-7-9-19)23-24(28)30(15-17-35-4)26(34)29-25(23)33/h5-13H,14-18,28H2,1-4H3,(H,29,33,34)
InChIKeyXOSWGHHEYZMLFB-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.07
Rot. Bonds10

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide (PubChem CID 16548948) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
PubChem CID16548948
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)CCOc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C27H34N4O5/c1-27(2,3)20-10-12-21(13-11-20)36-16-14-22(32)31(18-19-8-6-5-7-9-19)23-24(28)30(15-17-35-4)26(34)29-25(23)33/h5-13H,14-18,28H2,1-4H3,(H,29,33,34)
InChIKeyXOSWGHHEYZMLFB-UHFFFAOYSA-N
XLogP3.07
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(3,5-dimethylphenoxy)propanamide
CID 35535172
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-tert-butylphenoxy)-N-propylpropanamide
CID 24981206
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035654
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)-3-(4-methylphenoxy)propanamide
CID 29297824
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600439
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide (CID 16548948) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCOc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide?
The InChIKey is XOSWGHHEYZMLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-27(2,3)20-10-12-21(13-11-20)36-16-14-22(32)31(18-19-8-6-5-7-9-19)23-24(28)30(15-17-35-4)26(34)29-25(23)33/h5-13H,14-18,28H2,1-4H3,(H,29,33,34).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide has a molecular weight of 494.59 g/mol, XLogP of 3.07, 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-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 16548948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).