N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide

C20H25NO2 — CID 3709879

IUPACN-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)17-12-10-15(11-13-17)14-21-19(22)18(23-4)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,21,22)
InChIKeyMDBYEINLRZQYLP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.99
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide

N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 3709879) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID3709879
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)17-12-10-15(11-13-17)14-21-19(22)18(23-4)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,21,22)
InChIKeyMDBYEINLRZQYLP-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
(Cyclohexylcarbamoyl)(2-fluorophenyl)methyl acetate
CID 3230480
(Cyclohexylcarbamoyl)(3-fluorophenyl)methyl acetate
CID 3230481
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
Acetic acid cyclohexylcarbamoyl-p-tolyl-methyl ester
CID 651616
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2488999
2-Oxo-2-((1-phenylethyl)amino)ethyl 2-([1,1'-biphenyl]-4-yl)acetate
CID 4567678
Methyl 4-[[[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]amino]methyl]benzoate
CID 4605583
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 24820016
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino]methyl]phenyl]benzoate
CID 44455145

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide (CID 3709879) is N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is MDBYEINLRZQYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)17-12-10-15(11-13-17)14-21-19(22)18(23-4)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,21,22).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide?
N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 311.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 3709879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).