N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide

C21H27N3O4 — CID 27535607

IUPACN-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
SMILESCOc1ccccc1OCCNC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H27N3O4/c1-15-8-7-9-16(2)20(15)23-19(25)14-24(3)21(26)22-12-13-28-18-11-6-5-10-17(18)27-4/h5-11H,12-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyMMZPHJVJWSQEEN-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.97
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide (PubChem CID 27535607) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
PubChem CID27535607
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
SMILESCOc1ccccc1OCCNC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H27N3O4/c1-15-8-7-9-16(2)20(15)23-19(25)14-24(3)21(26)22-12-13-28-18-11-6-5-10-17(18)27-4/h5-11H,12-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyMMZPHJVJWSQEEN-UHFFFAOYSA-N
XLogP2.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
CID 86988555
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
N-[2-(2-methoxyphenoxy)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791050
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 55698968
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide (CID 27535607) is N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide is COc1ccccc1OCCNC(=O)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide?
The InChIKey is MMZPHJVJWSQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-8-7-9-16(2)20(15)23-19(25)14-24(3)21(26)22-12-13-28-18-11-6-5-10-17(18)27-4/h5-11H,12-14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide is sourced from PubChem (CID 27535607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).