N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide

C84H92ClN25O16 — CID 158405370

IUPACN-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(Cl)cc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1cccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H18ClN5O3.C17H19N5O4.2C17H19N5O3.C16H17N5O3/c1-9-5-11(18)7-12(6-9)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3;1-10(15(23)19-11-7-5-6-8-12(11)26-4)22-9-18-14-13(22)16(24)21(3)17(25)20(14)2;1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10-6-5-7-12(8-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10(14(22)18-11-7-5-4-6-8-11)21-9-17-13-12(21)15(23)20(3)16(24)19(13)2/h5-8,10H,1-4H3,(H,20,24);5-10H,1-4H3,(H,19,23);2*5-9,11H,1-4H3,(H,19,23);4-10H,1-3H3,(H,18,22)
InChIKeyGYPVAVALSRCFCG-UHFFFAOYSA-N
MW1743.27 g/mol
LogP4.75
Rot. Bonds16

About N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide

N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide (PubChem CID 158405370) has the molecular formula C84H92ClN25O16 and a molecular weight of 1743.27 g/mol. Its IUPAC name is N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
PubChem CID158405370
Molecular FormulaC84H92ClN25O16
Molecular Weight1743.27 g/mol
Exact Mass1741.68
IUPAC NameN-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(Cl)cc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1cccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H18ClN5O3.C17H19N5O4.2C17H19N5O3.C16H17N5O3/c1-9-5-11(18)7-12(6-9)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3;1-10(15(23)19-11-7-5-6-8-12(11)26-4)22-9-18-14-13(22)16(24)21(3)17(25)20(14)2;1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10-6-5-7-12(8-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10(14(22)18-11-7-5-4-6-8-11)21-9-17-13-12(21)15(23)20(3)16(24)19(13)2/h5-8,10H,1-4H3,(H,20,24);5-10H,1-4H3,(H,19,23);2*5-9,11H,1-4H3,(H,19,23);4-10H,1-3H3,(H,18,22)
InChIKeyGYPVAVALSRCFCG-UHFFFAOYSA-N
XLogP4.75
TPSA463.83 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms126
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001743.27
LogP ≤ 54.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
The IUPAC name of N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide (CID 158405370) is N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
The canonical SMILES for N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccccc1NC(=O)C(C)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(Cl)cc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1cccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
The InChIKey is GYPVAVALSRCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3.C17H19N5O4.2C17H19N5O3.C16H17N5O3/c1-9-5-11(18)7-12(6-9)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3;1-10(15(23)19-11-7-5-6-8-12(11)26-4)22-9-18-14-13(22)16(24)21(3)17(25)20(14)2;1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10-6-5-7-12(8-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10(14(22)18-11-7-5-4-6-8-11)21-9-17-13-12(21)15(23)20(3)16(24)19(13)2/h5-8,10H,1-4H3,(H,20,24);5-10H,1-4H3,(H,19,23);2*5-9,11H,1-4H3,(H,19,23);4-10H,1-3H3,(H,18,22).
What are the key properties of N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide?
N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide has a molecular weight of 1743.27 g/mol, XLogP of 4.75, 16 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide is sourced from PubChem (CID 158405370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).