2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide

C27H32N2O3 — CID 126383812

IUPAC2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
SMILESCCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C27H32N2O3/c1-6-31-26-15-22(16-28-23-12-10-18(2)20(4)14-23)11-13-25(26)32-17-27(30)29-24-9-7-8-19(3)21(24)5/h7-15,28H,6,16-17H2,1-5H3,(H,29,30)
InChIKeyVXYWCNXRBGTWDJ-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.95
Rot. Bonds9

About 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide

2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 126383812) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
PubChem CID126383812
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
SMILESCCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C27H32N2O3/c1-6-31-26-15-22(16-28-23-12-10-18(2)20(4)14-23)11-13-25(26)32-17-27(30)29-24-9-7-8-19(3)21(24)5/h7-15,28H,6,16-17H2,1-5H3,(H,29,30)
InChIKeyVXYWCNXRBGTWDJ-UHFFFAOYSA-N
XLogP5.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126259568
N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide
CID 4037519
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2983903
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide (CID 126383812) is 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide is CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is VXYWCNXRBGTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-6-31-26-15-22(16-28-23-12-10-18(2)20(4)14-23)11-13-25(26)32-17-27(30)29-24-9-7-8-19(3)21(24)5/h7-15,28H,6,16-17H2,1-5H3,(H,29,30).
What are the key properties of 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 432.56 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 126383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).