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

C22H29NO3 — CID 54776657

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
SMILESCOc1cc(CNC(=O)Cc2ccccc2C)ccc1OCCC(C)C
InChIInChI=1S/C22H29NO3/c1-16(2)11-12-26-20-10-9-18(13-21(20)25-4)15-23-22(24)14-19-8-6-5-7-17(19)3/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,23,24)
InChIKeyAMMIJKNEKXJZNX-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.29
Rot. Bonds9

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

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide (PubChem CID 54776657) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
PubChem CID54776657
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
SMILESCOc1cc(CNC(=O)Cc2ccccc2C)ccc1OCCC(C)C
InChIInChI=1S/C22H29NO3/c1-16(2)11-12-26-20-10-9-18(13-21(20)25-4)15-23-22(24)14-19-8-6-5-7-17(19)3/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,23,24)
InChIKeyAMMIJKNEKXJZNX-UHFFFAOYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52608395
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
2-amino-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120588377
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide (CID 54776657) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide is COc1cc(CNC(=O)Cc2ccccc2C)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is AMMIJKNEKXJZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)11-12-26-20-10-9-18(13-21(20)25-4)15-23-22(24)14-19-8-6-5-7-17(19)3/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,23,24).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.29, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 54776657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).