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

C26H29NO3 — CID 17134436

IUPACN-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
SMILESCC(C)CCOc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C26H29NO3/c1-20(2)14-16-29-25-13-7-11-23(19-25)27-26(28)22-10-6-12-24(18-22)30-17-15-21-8-4-3-5-9-21/h3-13,18-20H,14-17H2,1-2H3,(H,27,28)
InChIKeyFZOSQRJXCZSORG-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.99
Rot. Bonds10

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

N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide (PubChem CID 17134436) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
PubChem CID17134436
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
SMILESCC(C)CCOc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C26H29NO3/c1-20(2)14-16-29-25-13-7-11-23(19-25)27-26(28)22-10-6-12-24(18-22)30-17-15-21-8-4-3-5-9-21/h3-13,18-20H,14-17H2,1-2H3,(H,27,28)
InChIKeyFZOSQRJXCZSORG-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

3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134750

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide (CID 17134436) is N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide is CC(C)CCOc1cccc(NC(=O)c2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide?
The InChIKey is FZOSQRJXCZSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-20(2)14-16-29-25-13-7-11-23(19-25)27-26(28)22-10-6-12-24(18-22)30-17-15-21-8-4-3-5-9-21/h3-13,18-20H,14-17H2,1-2H3,(H,27,28).
What are the key properties of N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide?
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)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 N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17134436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).