2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide

C26H28N2O3 — CID 17251615

IUPAC2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1
InChIInChI=1S/C26H28N2O3/c1-18(2)16-17-31-24-11-7-6-10-23(24)26(30)28-21-14-12-20(13-15-21)27-25(29)22-9-5-4-8-19(22)3/h4-15,18H,16-17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyUFYFPLTXYHOHIR-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.92
Rot. Bonds8

About 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide

2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 17251615) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
PubChem CID17251615
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1
InChIInChI=1S/C26H28N2O3/c1-18(2)16-17-31-24-11-7-6-10-23(24)26(30)28-21-14-12-20(13-15-21)27-25(29)22-9-5-4-8-19(22)3/h4-15,18H,16-17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyUFYFPLTXYHOHIR-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-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate
CID 19165435
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944053
N-[(4-hydroxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944357
N-methyl-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 17354028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide (CID 17251615) is 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is UFYFPLTXYHOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)16-17-31-24-11-7-6-10-23(24)26(30)28-21-14-12-20(13-15-21)27-25(29)22-9-5-4-8-19(22)3/h4-15,18H,16-17H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide?
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]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-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 17251615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).