N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide

C15H23N5O4 — CID 110176026

IUPACN-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide
SMILESCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)CC(C)O
InChIInChI=1S/C15H23N5O4/c1-5-19(11(22)8-10(2)21)6-7-20-9-16-13-12(20)14(23)18(4)15(24)17(13)3/h9-10,21H,5-8H2,1-4H3
InChIKeyBTZZJKYCSFGEPD-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.95
Rot. Bonds6

About N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide

N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide (PubChem CID 110176026) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide
PubChem CID110176026
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC NameN-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide
SMILESCCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)CC(C)O
InChIInChI=1S/C15H23N5O4/c1-5-19(11(22)8-10(2)21)6-7-20-9-16-13-12(20)14(23)18(4)15(24)17(13)3/h9-10,21H,5-8H2,1-4H3
InChIKeyBTZZJKYCSFGEPD-UHFFFAOYSA-N
XLogP-0.95
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 28328
7-(3-chloro-3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 70482858
[2-[butyl(ethyl)amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 9289196
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
7-(7-hydroxydecyl)-1,3-dimethylpurine-2,6-dione
CID 67820217
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl (3S)-3-hydroxyhexanoate
CID 95631875
7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione
CID 21320137
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methylpropanoic acid
CID 54398406
(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate
CID 23455264
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide
CID 27873487

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide?
The IUPAC name of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide (CID 110176026) is N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide.
What is the SMILES notation for N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide?
The canonical SMILES for N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide is CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)CC(C)O.
What is the InChIKey of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide?
The InChIKey is BTZZJKYCSFGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-5-19(11(22)8-10(2)21)6-7-20-9-16-13-12(20)14(23)18(4)15(24)17(13)3/h9-10,21H,5-8H2,1-4H3.
What are the key properties of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide?
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide has a molecular weight of 337.38 g/mol, XLogP of -0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-ethyl-3-hydroxybutanamide is sourced from PubChem (CID 110176026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).