N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide

C24H28N6O5 — CID 16597172

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(NC(C)=O)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N6O5/c1-4-29(14-20(32)27-18-12-17(26-15(2)31)10-11-19(18)35-3)21-22(25)30(24(34)28-23(21)33)13-16-8-6-5-7-9-16/h5-12H,4,13-14,25H2,1-3H3,(H,26,31)(H,27,32)(H,28,33,34)
InChIKeyJFNPDSZKSOVGTE-UHFFFAOYSA-N
MW480.53 g/mol
LogP1.60
Rot. Bonds9

About N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide (PubChem CID 16597172) has the molecular formula C24H28N6O5 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide
PubChem CID16597172
Molecular FormulaC24H28N6O5
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(NC(C)=O)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N6O5/c1-4-29(14-20(32)27-18-12-17(26-15(2)31)10-11-19(18)35-3)21-22(25)30(24(34)28-23(21)33)13-16-8-6-5-7-9-16/h5-12H,4,13-14,25H2,1-3H3,(H,26,31)(H,27,32)(H,28,33,34)
InChIKeyJFNPDSZKSOVGTE-UHFFFAOYSA-N
XLogP1.60
TPSA151.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide with MolForge

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Related Compounds

2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 16597002
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30282782
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-bromophenyl)acetamide
CID 41332177
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 16596955
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 30870975
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(4-phenylphenyl)acetamide
CID 55534656
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methoxypropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 31035231
ethyl 4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]piperazine-1-carboxylate
CID 16597038
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 55517470
6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
CID 16605848
N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638918
2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8844622

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide (CID 16597172) is N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide is CCN(CC(=O)Nc1cc(NC(C)=O)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide?
The InChIKey is JFNPDSZKSOVGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5/c1-4-29(14-20(32)27-18-12-17(26-15(2)31)10-11-19(18)35-3)21-22(25)30(24(34)28-23(21)33)13-16-8-6-5-7-9-16/h5-12H,4,13-14,25H2,1-3H3,(H,26,31)(H,27,32)(H,28,33,34).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide has a molecular weight of 480.53 g/mol, XLogP of 1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide is sourced from PubChem (CID 16597172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).