N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide

C21H27NO3 — CID 39971234

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
SMILESCCCCOc1ccc(CNC(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C21H27NO3/c1-4-5-12-25-19-11-10-17(13-20(19)24-3)15-22-21(23)14-18-9-7-6-8-16(18)2/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,22,23)
InChIKeyCGJYVFBQYYZQHJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.04
Rot. Bonds9

About N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 39971234) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID39971234
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
SMILESCCCCOc1ccc(CNC(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C21H27NO3/c1-4-5-12-25-19-11-10-17(13-20(19)24-3)15-22-21(23)14-18-9-7-6-8-16(18)2/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,22,23)
InChIKeyCGJYVFBQYYZQHJ-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807529
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120588376
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide (CID 39971234) is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide is CCCCOc1ccc(CNC(=O)Cc2ccccc2C)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is CGJYVFBQYYZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-5-12-25-19-11-10-17(13-20(19)24-3)15-22-21(23)14-18-9-7-6-8-16(18)2/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 39971234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).