N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide

C27H30N2O3 — CID 4943608

IUPACN-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCCC(C)C)cc1C
InChIInChI=1S/C27H30N2O3/c1-18(2)15-16-32-25-12-8-6-10-23(25)27(31)29-24-11-7-5-9-22(24)26(30)28-21-14-13-19(3)20(4)17-21/h5-14,17-18H,15-16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyYQZPYHGJGUABEB-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.23
Rot. Bonds8

About N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide

N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide (PubChem CID 4943608) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
PubChem CID4943608
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCCC(C)C)cc1C
InChIInChI=1S/C27H30N2O3/c1-18(2)15-16-32-25-12-8-6-10-23(25)27(31)29-24-11-7-5-9-22(24)26(30)28-21-14-13-19(3)20(4)17-21/h5-14,17-18H,15-16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyYQZPYHGJGUABEB-UHFFFAOYSA-N
XLogP6.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-methyl-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 17354028
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
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-anilinophenyl)-2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 4944648
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide (CID 4943608) is N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCCC(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide?
The InChIKey is YQZPYHGJGUABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18(2)15-16-32-25-12-8-6-10-23(25)27(31)29-24-11-7-5-9-22(24)26(30)28-21-14-13-19(3)20(4)17-21/h5-14,17-18H,15-16H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide?
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide has a molecular weight of 430.55 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4943608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).