N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide

C19H23N5O5 — CID 122635897

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)n(C)c3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H23N5O5/c1-21-16-15(17(26)23(3)18(21)27)24(19(28)22(16)2)11-14(25)20-10-9-12-5-7-13(29-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,25)
InChIKeyMOOKTOCXPWFRKC-UHFFFAOYSA-N
MW401.42 g/mol
LogP-0.90
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide (PubChem CID 122635897) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
PubChem CID122635897
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)n(C)c3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H23N5O5/c1-21-16-15(17(26)23(3)18(21)27)24(19(28)22(16)2)11-14(25)20-10-9-12-5-7-13(29-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,25)
InChIKeyMOOKTOCXPWFRKC-UHFFFAOYSA-N
XLogP-0.90
TPSA109.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide 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

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
N-[2-(4-methoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591044
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4844140
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide
CID 67501328
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954
2-(4,6-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-1-yl)-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 67502128
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559368
2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18808977
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide (CID 122635897) is N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide is COc1ccc(CCNC(=O)Cn2c(=O)n(C)c3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide?
The InChIKey is MOOKTOCXPWFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-21-16-15(17(26)23(3)18(21)27)24(19(28)22(16)2)11-14(25)20-10-9-12-5-7-13(29-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide is sourced from PubChem (CID 122635897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).