N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide

C27H32N2O3 — CID 4037519

IUPACN-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C27H32N2O3/c1-5-21-8-11-23(12-9-21)28-17-22-10-14-25(26(16-22)31-6-2)32-18-27(30)29-24-13-7-19(3)15-20(24)4/h7-16,28H,5-6,17-18H2,1-4H3,(H,29,30)
InChIKeyMWBHSXQXQBRDNM-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.89
Rot. Bonds10

About N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide

N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide (PubChem CID 4037519) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide
PubChem CID4037519
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C27H32N2O3/c1-5-21-8-11-23(12-9-21)28-17-22-10-14-25(26(16-22)31-6-2)32-18-27(30)29-24-13-7-19(3)15-20(24)4/h7-16,28H,5-6,17-18H2,1-4H3,(H,29,30)
InChIKeyMWBHSXQXQBRDNM-UHFFFAOYSA-N
XLogP5.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380803
N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126259568
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide (CID 4037519) is N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide is CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide?
The InChIKey is MWBHSXQXQBRDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-5-21-8-11-23(12-9-21)28-17-22-10-14-25(26(16-22)31-6-2)32-18-27(30)29-24-13-7-19(3)15-20(24)4/h7-16,28H,5-6,17-18H2,1-4H3,(H,29,30).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide?
N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide has a molecular weight of 432.56 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 4037519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).