4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide

C21H27NO2 — CID 17079565

IUPAC4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO2/c1-15(2)14-24-19-8-6-7-18(13-19)22-20(23)16-9-11-17(12-10-16)21(3,4)5/h6-13,15H,14H2,1-5H3,(H,22,23)
InChIKeyBEZPYCRXDICXSV-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.27
Rot. Bonds5

About 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide

4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17079565) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
PubChem CID17079565
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO2/c1-15(2)14-24-19-8-6-7-18(13-19)22-20(23)16-9-11-17(12-10-16)21(3,4)5/h6-13,15H,14H2,1-5H3,(H,22,23)
InChIKeyBEZPYCRXDICXSV-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079543
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide (CID 17079565) is 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide is CC(C)COc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is BEZPYCRXDICXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(2)14-24-19-8-6-7-18(13-19)22-20(23)16-9-11-17(12-10-16)21(3,4)5/h6-13,15H,14H2,1-5H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide?
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17079565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).