N-acetyl-2-(2-methylbutan-2-yloxy)benzamide

C14H19NO3 — CID 174864650

IUPACN-acetyl-2-(2-methylbutan-2-yloxy)benzamide
SMILESCCC(C)(C)Oc1ccccc1C(=O)NC(C)=O
InChIInChI=1S/C14H19NO3/c1-5-14(3,4)18-12-9-7-6-8-11(12)13(17)15-10(2)16/h6-9H,5H2,1-4H3,(H,15,16,17)
InChIKeyCDUZYAFAQCTSGY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds4

About N-acetyl-2-(2-methylbutan-2-yloxy)benzamide

N-acetyl-2-(2-methylbutan-2-yloxy)benzamide (PubChem CID 174864650) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-acetyl-2-(2-methylbutan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-acetyl-2-(2-methylbutan-2-yloxy)benzamide
PubChem CID174864650
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-acetyl-2-(2-methylbutan-2-yloxy)benzamide
SMILESCCC(C)(C)Oc1ccccc1C(=O)NC(C)=O
InChIInChI=1S/C14H19NO3/c1-5-14(3,4)18-12-9-7-6-8-11(12)13(17)15-10(2)16/h6-9H,5H2,1-4H3,(H,15,16,17)
InChIKeyCDUZYAFAQCTSGY-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
2-amino-3-(2-methylbutan-2-yloxy)benzamide
CID 115547085
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
2-N-acetylbenzene-1,2-dicarboxamide
CID 19607558
bis[2-(2-methylbutan-2-yloxy)phenyl]borinic acid
CID 139950062
(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
CID 67161729
[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl] acetate
CID 91810847
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide
CID 110473881
methyl (2R)-2-[[2-(2-methoxyethoxy)benzoyl]amino]-2-methylbutanoate
CID 94811894
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79806934

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(2-methylbutan-2-yloxy)benzamide?
The IUPAC name of N-acetyl-2-(2-methylbutan-2-yloxy)benzamide (CID 174864650) is N-acetyl-2-(2-methylbutan-2-yloxy)benzamide.
What is the SMILES notation for N-acetyl-2-(2-methylbutan-2-yloxy)benzamide?
The canonical SMILES for N-acetyl-2-(2-methylbutan-2-yloxy)benzamide is CCC(C)(C)Oc1ccccc1C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-2-(2-methylbutan-2-yloxy)benzamide?
The InChIKey is CDUZYAFAQCTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-14(3,4)18-12-9-7-6-8-11(12)13(17)15-10(2)16/h6-9H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-acetyl-2-(2-methylbutan-2-yloxy)benzamide?
N-acetyl-2-(2-methylbutan-2-yloxy)benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(2-methylbutan-2-yloxy)benzamide is sourced from PubChem (CID 174864650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).