N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide

C22H29N3O5 — CID 55362409

IUPACN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-13-7-14(2)21(15(3)8-13)25-20(27)12-24-19(26)11-23-16-9-17(28-4)22(30-6)18(10-16)29-5/h7-10,23H,11-12H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyRSSZRUCGKXCLAT-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.80
Rot. Bonds9

About N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 55362409) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID55362409
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C22H29N3O5/c1-13-7-14(2)21(15(3)8-13)25-20(27)12-24-19(26)11-23-16-9-17(28-4)22(30-6)18(10-16)29-5/h7-10,23H,11-12H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyRSSZRUCGKXCLAT-UHFFFAOYSA-N
XLogP2.80
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008811
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2,3-dimethoxy-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713943
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
2-(3,5-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26417629
2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 26713690

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide (CID 55362409) is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is RSSZRUCGKXCLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-13-7-14(2)21(15(3)8-13)25-20(27)12-24-19(26)11-23-16-9-17(28-4)22(30-6)18(10-16)29-5/h7-10,23H,11-12H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 415.49 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 55362409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).