N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C24H33NO4 — CID 2086441

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1
InChIInChI=1S/C24H33NO4/c1-23(2,3)16-24(4,5)17-8-10-18(11-9-17)29-15-22(26)25-20-14-19(27-6)12-13-21(20)28-7/h8-14H,15-16H2,1-7H3,(H,25,26)
InChIKeyKBEBITPYJPXNIN-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.44
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 2086441) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
PubChem CID2086441
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1
InChIInChI=1S/C24H33NO4/c1-23(2,3)16-24(4,5)17-8-10-18(11-9-17)29-15-22(26)25-20-14-19(27-6)12-13-21(20)28-7/h8-14H,15-16H2,1-7H3,(H,25,26)
InChIKeyKBEBITPYJPXNIN-UHFFFAOYSA-N
XLogP5.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174230
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174245
methyl 4-[(4-methoxyphenyl)methoxy]-3-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]amino]benzoate
CID 135325139
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(5-tert-butyl-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 16546420
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17359381
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 2195671
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3098172
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 2086441) is N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is COc1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The InChIKey is KBEBITPYJPXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-23(2,3)16-24(4,5)17-8-10-18(11-9-17)29-15-22(26)25-20-14-19(27-6)12-13-21(20)28-7/h8-14H,15-16H2,1-7H3,(H,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 399.53 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 2086441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).