N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide

C16H17N7O3 — CID 167947694

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide
SMILESCC(C(=O)Nc1cccc(OCC(N)=O)c1)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H17N7O3/c1-9(23-8-21-13-14(18)19-7-20-15(13)23)16(25)22-10-3-2-4-11(5-10)26-6-12(17)24/h2-5,7-9H,6H2,1H3,(H2,17,24)(H,22,25)(H2,18,19,20)
InChIKeyIYOFSPMVVRFTRA-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.47
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide (PubChem CID 167947694) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide
PubChem CID167947694
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide
SMILESCC(C(=O)Nc1cccc(OCC(N)=O)c1)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H17N7O3/c1-9(23-8-21-13-14(18)19-7-20-15(13)23)16(25)22-10-3-2-4-11(5-10)26-6-12(17)24/h2-5,7-9H,6H2,1H3,(H2,17,24)(H,22,25)(H2,18,19,20)
InChIKeyIYOFSPMVVRFTRA-UHFFFAOYSA-N
XLogP0.47
TPSA151.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide
CID 136553586
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
CID 136553752
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyphenyl)acetamide
CID 18155390
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide (CID 167947694) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide is CC(C(=O)Nc1cccc(OCC(N)=O)c1)n1cnc2c(N)ncnc21.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide?
The InChIKey is IYOFSPMVVRFTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-9(23-8-21-13-14(18)19-7-20-15(13)23)16(25)22-10-3-2-4-11(5-10)26-6-12(17)24/h2-5,7-9H,6H2,1H3,(H2,17,24)(H,22,25)(H2,18,19,20).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide has a molecular weight of 355.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide is sourced from PubChem (CID 167947694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).