N-(3-acetylphenyl)-2-(tert-butylamino)acetamide

C14H20N2O2 — CID 31628083

IUPACN-(3-acetylphenyl)-2-(tert-butylamino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(17)11-6-5-7-12(8-11)16-13(18)9-15-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)
InChIKeyIOCMYKJLXKKJIO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.22
Rot. Bonds4

About N-(3-acetylphenyl)-2-(tert-butylamino)acetamide

N-(3-acetylphenyl)-2-(tert-butylamino)acetamide (PubChem CID 31628083) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(tert-butylamino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(tert-butylamino)acetamide
PubChem CID31628083
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-acetylphenyl)-2-(tert-butylamino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(17)11-6-5-7-12(8-11)16-13(18)9-15-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)
InChIKeyIOCMYKJLXKKJIO-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789138
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
N-(3-acetylphenyl)propanamide
CID 903063
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(tert-butylamino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(tert-butylamino)acetamide (CID 31628083) is N-(3-acetylphenyl)-2-(tert-butylamino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(tert-butylamino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(tert-butylamino)acetamide is CC(=O)c1cccc(NC(=O)CNC(C)(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(tert-butylamino)acetamide?
The InChIKey is IOCMYKJLXKKJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)11-6-5-7-12(8-11)16-13(18)9-15-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)-2-(tert-butylamino)acetamide?
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(tert-butylamino)acetamide is sourced from PubChem (CID 31628083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).