2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide

C20H24N2O3 — CID 113179224

IUPAC2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(23)22(14-19(24)21-20(2,3)4)17-12-8-9-13-18(17)25-16-10-6-5-7-11-16/h5-13H,14H2,1-4H3,(H,21,24)
InChIKeyLTCVXHUVGMSHIS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.75
Rot. Bonds5

About 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide

2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide (PubChem CID 113179224) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
PubChem CID113179224
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(23)22(14-19(24)21-20(2,3)4)17-12-8-9-13-18(17)25-16-10-6-5-7-11-16/h5-13H,14H2,1-4H3,(H,21,24)
InChIKeyLTCVXHUVGMSHIS-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113179217
2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113179220
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100608249
(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
CID 11624963
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
N-[(2,3-dimethoxyphenyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 71198512
2-(N-acetyl-4-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 113167825
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
CID 113133616

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide (CID 113179224) is 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide is CC(=O)N(CC(=O)NC(C)(C)C)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide?
The InChIKey is LTCVXHUVGMSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)22(14-19(24)21-20(2,3)4)17-12-8-9-13-18(17)25-16-10-6-5-7-11-16/h5-13H,14H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide?
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113179224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).