N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide

C21H27NO2 — CID 7935956

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-14(2)15-7-9-16(10-8-15)20(23)22-18-13-17(21(3,4)5)11-12-19(18)24-6/h7-14H,1-6H3,(H,22,23)
InChIKeyZNLWTXKLVMRGEN-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.37
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide

N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide (PubChem CID 7935956) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
PubChem CID7935956
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-14(2)15-7-9-16(10-8-15)20(23)22-18-13-17(21(3,4)5)11-12-19(18)24-6/h7-14H,1-6H3,(H,22,23)
InChIKeyZNLWTXKLVMRGEN-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 2954071
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide (CID 7935956) is N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide?
The InChIKey is ZNLWTXKLVMRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14(2)15-7-9-16(10-8-15)20(23)22-18-13-17(21(3,4)5)11-12-19(18)24-6/h7-14H,1-6H3,(H,22,23).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide has a molecular weight of 325.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 7935956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).