N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide

C25H26N2O3 — CID 17235412

IUPACN-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-18(2)16-17-30-23-11-7-6-10-22(23)25(29)27-21-14-12-20(13-15-21)26-24(28)19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDVFNGSLOOJIYHG-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.62
Rot. Bonds8

About N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide

N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide (PubChem CID 17235412) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
PubChem CID17235412
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-18(2)16-17-30-23-11-7-6-10-22(23)25(29)27-21-14-12-20(13-15-21)26-24(28)19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDVFNGSLOOJIYHG-UHFFFAOYSA-N
XLogP5.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944053
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4943982
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N-(4-anilinophenyl)-2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 4944648

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide?
The IUPAC name of N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide (CID 17235412) is N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide is CC(C)CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide?
The InChIKey is DVFNGSLOOJIYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(2)16-17-30-23-11-7-6-10-22(23)25(29)27-21-14-12-20(13-15-21)26-24(28)19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide?
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17235412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).