N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide

C26H29N5O4 — CID 43052672

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)C(C)c1cc2ccccc2o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H29N5O4/c1-4-30(22(32)16-29(3)17(2)21-14-19-12-8-9-13-20(19)35-21)23-24(27)31(26(34)28-25(23)33)15-18-10-6-5-7-11-18/h5-14,17H,4,15-16,27H2,1-3H3,(H,28,33,34)
InChIKeyHLVSDTDTRYHPPJ-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.96
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide (PubChem CID 43052672) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide
PubChem CID43052672
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)C(C)c1cc2ccccc2o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H29N5O4/c1-4-30(22(32)16-29(3)17(2)21-14-19-12-8-9-13-20(19)35-21)23-24(27)31(26(34)28-25(23)33)15-18-10-6-5-7-11-18/h5-14,17H,4,15-16,27H2,1-3H3,(H,28,33,34)
InChIKeyHLVSDTDTRYHPPJ-UHFFFAOYSA-N
XLogP2.96
TPSA117.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide
CID 55621362
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 8801097
4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 30803932
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-ethylacetamide
CID 16561830
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylbutanamide
CID 24686728
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605012
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethylacetamide
CID 17410782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide (CID 43052672) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide is CCN(C(=O)CN(C)C(C)c1cc2ccccc2o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide?
The InChIKey is HLVSDTDTRYHPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-4-30(22(32)16-29(3)17(2)21-14-19-12-8-9-13-20(19)35-21)23-24(27)31(26(34)28-25(23)33)15-18-10-6-5-7-11-18/h5-14,17H,4,15-16,27H2,1-3H3,(H,28,33,34).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide has a molecular weight of 475.55 g/mol, XLogP of 2.96, 8 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)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 43052672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).