3-butan-2-yloxy-N-(3-methylphenyl)benzamide

C18H21NO2 — CID 17149681

IUPAC3-butan-2-yloxy-N-(3-methylphenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-4-14(3)21-17-10-6-8-15(12-17)18(20)19-16-9-5-7-13(2)11-16/h5-12,14H,4H2,1-3H3,(H,19,20)
InChIKeyDSAGUTZNPZFDGH-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.42
Rot. Bonds5

About 3-butan-2-yloxy-N-(3-methylphenyl)benzamide

3-butan-2-yloxy-N-(3-methylphenyl)benzamide (PubChem CID 17149681) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(3-methylphenyl)benzamide
PubChem CID17149681
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-butan-2-yloxy-N-(3-methylphenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-4-14(3)21-17-10-6-8-15(12-17)18(20)19-16-9-5-7-13(2)11-16/h5-12,14H,4H2,1-3H3,(H,19,20)
InChIKeyDSAGUTZNPZFDGH-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
2-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 62328427
3-butan-2-yloxy-N-[(4-methylphenyl)carbamothioyl]benzamide
CID 17150017

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-butan-2-yloxy-N-(3-methylphenyl)benzamide (CID 17149681) is 3-butan-2-yloxy-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-(3-methylphenyl)benzamide is CCC(C)Oc1cccc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(3-methylphenyl)benzamide?
The InChIKey is DSAGUTZNPZFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-14(3)21-17-10-6-8-15(12-17)18(20)19-16-9-5-7-13(2)11-16/h5-12,14H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-butan-2-yloxy-N-(3-methylphenyl)benzamide?
3-butan-2-yloxy-N-(3-methylphenyl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 17149681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).