4-acetamido-2-(2-methylbutan-2-yl)benzamide

C14H20N2O2 — CID 21255735

IUPAC4-acetamido-2-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)c1cc(NC(C)=O)ccc1C(N)=O
InChIInChI=1S/C14H20N2O2/c1-5-14(3,4)12-8-10(16-9(2)17)6-7-11(12)13(15)18/h6-8H,5H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyPAKYFOIZKQYDPO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.43
Rot. Bonds4

About 4-acetamido-2-(2-methylbutan-2-yl)benzamide

4-acetamido-2-(2-methylbutan-2-yl)benzamide (PubChem CID 21255735) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-acetamido-2-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-2-(2-methylbutan-2-yl)benzamide
PubChem CID21255735
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-acetamido-2-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)c1cc(NC(C)=O)ccc1C(N)=O
InChIInChI=1S/C14H20N2O2/c1-5-14(3,4)12-8-10(16-9(2)17)6-7-11(12)13(15)18/h6-8H,5H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyPAKYFOIZKQYDPO-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(2-methylbutan-2-yl)benzamide
CID 91508673
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
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[4-acetyl-3-(2,2-dimethylpropyl)phenyl]thiourea
CID 123523259
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
N-[4-acetyl-3-(aminomethyl)phenyl]acetamide
CID 150539337
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 4-acetamido-2-aminobenzoate
CID 19006952
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
CID 114290300
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 65483189
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-acetamido-2-(2-methylbutan-2-yl)benzamide (CID 21255735) is 4-acetamido-2-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-2-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-acetamido-2-(2-methylbutan-2-yl)benzamide is CCC(C)(C)c1cc(NC(C)=O)ccc1C(N)=O.
What is the InChIKey of 4-acetamido-2-(2-methylbutan-2-yl)benzamide?
The InChIKey is PAKYFOIZKQYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-14(3,4)12-8-10(16-9(2)17)6-7-11(12)13(15)18/h6-8H,5H2,1-4H3,(H2,15,18)(H,16,17).
What are the key properties of 4-acetamido-2-(2-methylbutan-2-yl)benzamide?
4-acetamido-2-(2-methylbutan-2-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 21255735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).