N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide

C26H28N2O3 — CID 17230240

IUPACN-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(2)17-18-31-24-15-11-20(12-16-24)25(29)27-22-13-9-21(10-14-22)26(30)28(3)23-7-5-4-6-8-23/h4-16,19H,17-18H2,1-3H3,(H,27,29)
InChIKeyXOQJEIRVWNMUSX-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.64
Rot. Bonds8

About N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide

N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide (PubChem CID 17230240) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
PubChem CID17230240
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-19(2)17-18-31-24-15-11-20(12-16-24)25(29)27-22-13-9-21(10-14-22)26(30)28(3)23-7-5-4-6-8-23/h4-16,19H,17-18H2,1-3H3,(H,27,29)
InChIKeyXOQJEIRVWNMUSX-UHFFFAOYSA-N
XLogP5.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
N-[4-[acetyl(methyl)amino]phenyl]-3-(3-methylbutoxy)benzamide
CID 4981647
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
CID 4948284
4-(3-methylbutoxy)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4949116
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
4-benzamido-N-methyl-N-(3-methylbutyl)benzamide
CID 86926879

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide (CID 17230240) is N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide?
The InChIKey is XOQJEIRVWNMUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)17-18-31-24-15-11-20(12-16-24)25(29)27-22-13-9-21(10-14-22)26(30)28(3)23-7-5-4-6-8-23/h4-16,19H,17-18H2,1-3H3,(H,27,29).
What are the key properties of N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide?
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide has a molecular weight of 416.52 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 17230240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).