2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C24H33N3O3 — CID 55702850

IUPAC2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)C(C)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O3/c1-7-27(19(5)20-9-8-10-21(13-20)30-6)15-23(29)25-14-22(28)26-24-17(3)11-16(2)12-18(24)4/h8-13,19H,7,14-15H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyMHMJBJLHEKNMEQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.76
Rot. Bonds9

About 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55702850) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55702850
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)C(C)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O3/c1-7-27(19(5)20-9-8-10-21(13-20)30-6)15-23(29)25-14-22(28)26-24-17(3)11-16(2)12-18(24)4/h8-13,19H,7,14-15H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyMHMJBJLHEKNMEQ-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 75878457
N-(2,6-dichlorophenyl)-3-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]propanamide
CID 56524555
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 55700187
2-[(3-methoxyphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51488436
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26072093
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 55702850) is 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)C(C)c1cccc(OC)c1.
What is the InChIKey of 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MHMJBJLHEKNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-7-27(19(5)20-9-8-10-21(13-20)30-6)15-23(29)25-14-22(28)26-24-17(3)11-16(2)12-18(24)4/h8-13,19H,7,14-15H2,1-6H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55702850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).