4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide

C21H22N2O2 — CID 66815726

IUPAC4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide
SMILESCOc1nc2ccccc2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H22N2O2/c1-21(2,3)16-11-9-14(10-12-16)19(24)22-18-13-15-7-5-6-8-17(15)23-20(18)25-4/h5-13H,1-4H3,(H,22,24)
InChIKeyXCKYZYTVSGJCAA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.79
Rot. Bonds3

About 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide

4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide (PubChem CID 66815726) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide
PubChem CID66815726
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide
SMILESCOc1nc2ccccc2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H22N2O2/c1-21(2,3)16-11-9-14(10-12-16)19(24)22-18-13-15-7-5-6-8-17(15)23-20(18)25-4/h5-13H,1-4H3,(H,22,24)
InChIKeyXCKYZYTVSGJCAA-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
CID 58639670
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
CID 3116484
4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 11798169
methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
CID 108744837
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide (CID 66815726) is 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide is COc1nc2ccccc2cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide?
The InChIKey is XCKYZYTVSGJCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-21(2,3)16-11-9-14(10-12-16)19(24)22-18-13-15-7-5-6-8-17(15)23-20(18)25-4/h5-13H,1-4H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide?
4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxyquinolin-3-yl)benzamide is sourced from PubChem (CID 66815726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).