2-acetamido-N-(4-propan-2-ylphenyl)acetamide

C13H18N2O2 — CID 110687041

IUPAC2-acetamido-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-9(2)11-4-6-12(7-5-11)15-13(17)8-14-10(3)16/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyHQRBUKOKDFBUNF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.88
Rot. Bonds4

About 2-acetamido-N-(4-propan-2-ylphenyl)acetamide

2-acetamido-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 110687041) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-acetamido-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(4-propan-2-ylphenyl)acetamide
PubChem CID110687041
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-acetamido-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-9(2)11-4-6-12(7-5-11)15-13(17)8-14-10(3)16/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyHQRBUKOKDFBUNF-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide
CID 60559925
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-acetamido-N-(4-propan-2-ylphenyl)acetamide (CID 110687041) is 2-acetamido-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-acetamido-N-(4-propan-2-ylphenyl)acetamide is CC(=O)NCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-acetamido-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is HQRBUKOKDFBUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)11-4-6-12(7-5-11)15-13(17)8-14-10(3)16/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-N-(4-propan-2-ylphenyl)acetamide?
2-acetamido-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110687041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).