2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide

C26H28N2O3 — CID 26164686

IUPAC2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCCC(C)C)c2)c1
InChIInChI=1S/C26H28N2O3/c1-18(2)14-15-31-24-13-5-4-12-23(24)26(30)28-22-11-7-9-20(17-22)25(29)27-21-10-6-8-19(3)16-21/h4-13,16-18H,14-15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyCBSDMQFVCYDSIJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.92
Rot. Bonds8

About 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide

2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 26164686) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
PubChem CID26164686
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCCC(C)C)c2)c1
InChIInChI=1S/C26H28N2O3/c1-18(2)14-15-31-24-13-5-4-12-23(24)26(30)28-22-11-7-9-20(17-22)25(29)27-21-10-6-8-19(3)16-21/h4-13,16-18H,14-15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyCBSDMQFVCYDSIJ-UHFFFAOYSA-N
XLogP5.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 26159802
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide (CID 26164686) is 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCCC(C)C)c2)c1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is CBSDMQFVCYDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)14-15-31-24-13-5-4-12-23(24)26(30)28-22-11-7-9-20(17-22)25(29)27-21-10-6-8-19(3)16-21/h4-13,16-18H,14-15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 26164686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).