N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C22H26N4O6 — CID 46786070

IUPACN-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(-n3c(=O)n(C)n(C)c3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O6/c1-24-21(28)26(22(29)25(24)2)16-9-7-15(8-10-16)23-19(27)11-6-14-12-17(30-3)20(32-5)18(13-14)31-4/h7-10,12-13H,6,11H2,1-5H3,(H,23,27)
InChIKeyRXIDSWKFAIBVSM-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.47
Rot. Bonds8

About N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 46786070) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID46786070
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(-n3c(=O)n(C)n(C)c3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O6/c1-24-21(28)26(22(29)25(24)2)16-9-7-15(8-10-16)23-19(27)11-6-14-12-17(30-3)20(32-5)18(13-14)31-4/h7-10,12-13H,6,11H2,1-5H3,(H,23,27)
InChIKeyRXIDSWKFAIBVSM-UHFFFAOYSA-N
XLogP1.47
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
1,2,3-trimethoxy-5-[3-oxo-3-[4-(sulfinoamino)anilino]propyl]benzene
CID 153265603
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55700607
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 46786070) is N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(-n3c(=O)n(C)n(C)c3=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is RXIDSWKFAIBVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-24-21(28)26(22(29)25(24)2)16-9-7-15(8-10-16)23-19(27)11-6-14-12-17(30-3)20(32-5)18(13-14)31-4/h7-10,12-13H,6,11H2,1-5H3,(H,23,27).
What are the key properties of N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 442.47 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 46786070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).