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

C26H29NO4 — CID 4981775

IUPAC3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C26H29NO4/c1-20(2)15-16-29-25-10-6-7-21(19-25)26(28)27-22-11-13-24(14-12-22)31-18-17-30-23-8-4-3-5-9-23/h3-14,19-20H,15-18H2,1-2H3,(H,27,28)
InChIKeyGCEMDOYXTDIYQM-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.82
Rot. Bonds11

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

3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 4981775) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID4981775
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C26H29NO4/c1-20(2)15-16-29-25-10-6-7-21(19-25)26(28)27-22-11-13-24(14-12-22)31-18-17-30-23-8-4-3-5-9-23/h3-14,19-20H,15-18H2,1-2H3,(H,27,28)
InChIKeyGCEMDOYXTDIYQM-UHFFFAOYSA-N
XLogP5.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-(3-methylbutoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4981911
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide (CID 4981775) is 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide is CC(C)CCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is GCEMDOYXTDIYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-20(2)15-16-29-25-10-6-7-21(19-25)26(28)27-22-11-13-24(14-12-22)31-18-17-30-23-8-4-3-5-9-23/h3-14,19-20H,15-18H2,1-2H3,(H,27,28).
What are the key properties of 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 419.52 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 4981775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).