2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide

C26H29NO3 — CID 17067004

IUPAC2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-20(2)16-18-30-25-11-7-6-10-24(25)26(28)27-22-12-14-23(15-13-22)29-19-17-21-8-4-3-5-9-21/h3-15,20H,16-19H2,1-2H3,(H,27,28)
InChIKeyLRULARZCRBSOLQ-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.99
Rot. Bonds10

About 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide

2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17067004) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
PubChem CID17067004
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-20(2)16-18-30-25-11-7-6-10-24(25)26(28)27-22-12-14-23(15-13-22)29-19-17-21-8-4-3-5-9-21/h3-15,20H,16-19H2,1-2H3,(H,27,28)
InChIKeyLRULARZCRBSOLQ-UHFFFAOYSA-N
XLogP5.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
2-(2-methylpropoxy)-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067134
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628556
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-(2-phenylethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 19628144

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide (CID 17067004) is 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide is CC(C)CCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is LRULARZCRBSOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-20(2)16-18-30-25-11-7-6-10-24(25)26(28)27-22-12-14-23(15-13-22)29-19-17-21-8-4-3-5-9-21/h3-15,20H,16-19H2,1-2H3,(H,27,28).
What are the key properties of 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 403.52 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17067004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).