3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C24H31N3O8 — CID 3874759

IUPAC3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H31N3O8/c1-31-11-10-27(24(30)16-12-19(33-3)23(35-5)20(13-16)34-4)15-22(29)25-14-21(28)26-17-6-8-18(32-2)9-7-17/h6-9,12-13H,10-11,14-15H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyNJWWBGYTRTYQIH-UHFFFAOYSA-N
MW489.53 g/mol
LogP1.56
Rot. Bonds13

About 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 3874759) has the molecular formula C24H31N3O8 and a molecular weight of 489.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
PubChem CID3874759
Molecular FormulaC24H31N3O8
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC Name3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H31N3O8/c1-31-11-10-27(24(30)16-12-19(33-3)23(35-5)20(13-16)34-4)15-22(29)25-14-21(28)26-17-6-8-18(32-2)9-7-17/h6-9,12-13H,10-11,14-15H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyNJWWBGYTRTYQIH-UHFFFAOYSA-N
XLogP1.56
TPSA124.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 4603639
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 3874759) is 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is NJWWBGYTRTYQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O8/c1-31-11-10-27(24(30)16-12-19(33-3)23(35-5)20(13-16)34-4)15-22(29)25-14-21(28)26-17-6-8-18(32-2)9-7-17/h6-9,12-13H,10-11,14-15H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 489.53 g/mol, XLogP of 1.56, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3874759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).