N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide

C22H29NO4 — CID 39971359

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCCCCOc1ccc(CNC(=O)COc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C22H29NO4/c1-5-6-11-26-19-10-9-18(13-21(19)25-4)14-23-22(24)15-27-20-12-16(2)7-8-17(20)3/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,23,24)
InChIKeyURSXOVMJGMJCAR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.19
Rot. Bonds10

About N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 39971359) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID39971359
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCCCCOc1ccc(CNC(=O)COc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C22H29NO4/c1-5-6-11-26-19-10-9-18(13-21(19)25-4)14-23-22(24)15-27-20-12-16(2)7-8-17(20)3/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,23,24)
InChIKeyURSXOVMJGMJCAR-UHFFFAOYSA-N
XLogP4.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917733
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(4-bromo-2,6-dimethylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54776621
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 35366389
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide (CID 39971359) is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide is CCCCOc1ccc(CNC(=O)COc2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is URSXOVMJGMJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-5-6-11-26-19-10-9-18(13-21(19)25-4)14-23-22(24)15-27-20-12-16(2)7-8-17(20)3/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,23,24).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 371.48 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 39971359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).