N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide

C21H27NO3 — CID 54776536

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
SMILESCOc1cc(CNC(=O)Cc2ccccc2)ccc1OCCC(C)C
InChIInChI=1S/C21H27NO3/c1-16(2)11-12-25-19-10-9-18(13-20(19)24-3)15-22-21(23)14-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,22,23)
InChIKeyATFSXYOAKSSOMY-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.98
Rot. Bonds9

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide (PubChem CID 54776536) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
PubChem CID54776536
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
SMILESCOc1cc(CNC(=O)Cc2ccccc2)ccc1OCCC(C)C
InChIInChI=1S/C21H27NO3/c1-16(2)11-12-25-19-10-9-18(13-20(19)24-3)15-22-21(23)14-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,22,23)
InChIKeyATFSXYOAKSSOMY-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
2-amino-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120588377
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52608395
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
3,4,5-trimethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]benzamide
CID 54776880
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 55713708
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55713372

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide (CID 54776536) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide is COc1cc(CNC(=O)Cc2ccccc2)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide?
The InChIKey is ATFSXYOAKSSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16(2)11-12-25-19-10-9-18(13-20(19)24-3)15-22-21(23)14-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,22,23).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide has a molecular weight of 341.45 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 54776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).