N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide

C20H23NO3 — CID 82156316

IUPACN-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
SMILESCC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H23NO3/c1-14(22)16-10-11-18(24-13-15-8-6-5-7-9-15)17(12-16)21-19(23)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyLGKKQDXCWPAKBP-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.45
Rot. Bonds5

About N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide

N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 82156316) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
PubChem CID82156316
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
SMILESCC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H23NO3/c1-14(22)16-10-11-18(24-13-15-8-6-5-7-9-15)17(12-16)21-19(23)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyLGKKQDXCWPAKBP-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
2-(2,2-dimethylpropanoylamino)-4-fluoro-6-phenylmethoxybenzoic acid
CID 90117385
2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
CID 54835482
1-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]-3-methylurea
CID 21435486
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
[5-[2-[benzyl(tert-butyl)amino]acetyl]-2-phenylmethoxyphenyl]urea
CID 125287928
N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide
CID 135074317
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide (CID 82156316) is N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide is CC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is LGKKQDXCWPAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(22)16-10-11-18(24-13-15-8-6-5-7-9-15)17(12-16)21-19(23)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide?
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 82156316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).