2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

C18H23N5O4 — CID 134444436

IUPAC2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C
InChIInChI=1S/C18H23N5O4/c1-21-16-15(17(25)22(2)18(21)26)23(11-20-16)10-14(24)19-9-8-12-6-4-5-7-13(12)27-3/h4-7,11,18,26H,8-10H2,1-3H3,(H,19,24)
InChIKeyUGHYWOBRLWSDAU-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.05
Rot. Bonds6

About 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 134444436) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID134444436
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C
InChIInChI=1S/C18H23N5O4/c1-21-16-15(17(25)22(2)18(21)26)23(11-20-16)10-14(24)19-9-8-12-6-4-5-7-13(12)27-3/h4-7,11,18,26H,8-10H2,1-3H3,(H,19,24)
InChIKeyUGHYWOBRLWSDAU-UHFFFAOYSA-N
XLogP0.05
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9073066
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 78779713
ethyl 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653277
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 134444436) is 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C.
What is the InChIKey of 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is UGHYWOBRLWSDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-21-16-15(17(25)22(2)18(21)26)23(11-20-16)10-14(24)19-9-8-12-6-4-5-7-13(12)27-3/h4-7,11,18,26H,8-10H2,1-3H3,(H,19,24).
What are the key properties of 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 134444436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).