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

C25H27NO4 — CID 4958264

IUPAC3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO4/c1-2-3-16-28-24-11-7-8-20(19-24)25(27)26-21-12-14-23(15-13-21)30-18-17-29-22-9-5-4-6-10-22/h4-15,19H,2-3,16-18H2,1H3,(H,26,27)
InChIKeyWEMBEEMYSVIXDR-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.58
Rot. Bonds11

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

3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 4958264) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID4958264
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO4/c1-2-3-16-28-24-11-7-8-20(19-24)25(27)26-21-12-14-23(15-13-21)30-18-17-29-22-9-5-4-6-10-22/h4-15,19H,2-3,16-18H2,1H3,(H,26,27)
InChIKeyWEMBEEMYSVIXDR-UHFFFAOYSA-N
XLogP5.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.58
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

N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[(4-benzamidophenyl)carbamothioyl]-3-butoxybenzamide
CID 17235751
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-[(4-heptoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955369
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide (CID 4958264) is 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is WEMBEEMYSVIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-2-3-16-28-24-11-7-8-20(19-24)25(27)26-21-12-14-23(15-13-21)30-18-17-29-22-9-5-4-6-10-22/h4-15,19H,2-3,16-18H2,1H3,(H,26,27).
What are the key properties of 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide?
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 405.49 g/mol, XLogP of 5.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 4958264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).