N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide

C25H27NO3 — CID 19628186

IUPACN-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCCCOc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-2-3-18-28-22-15-13-21(14-16-22)26-25(27)23-11-7-8-12-24(23)29-19-17-20-9-5-4-6-10-20/h4-16H,2-3,17-19H2,1H3,(H,26,27)
InChIKeyKQWAENIASCZHFN-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.74
Rot. Bonds10

About N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide

N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 19628186) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
PubChem CID19628186
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCCCCOc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-2-3-18-28-22-15-13-21(14-16-22)26-25(27)23-11-7-8-12-24(23)29-19-17-20-9-5-4-6-10-20/h4-16H,2-3,17-19H2,1H3,(H,26,27)
InChIKeyKQWAENIASCZHFN-UHFFFAOYSA-N
XLogP5.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17130333
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide (CID 19628186) is N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide is CCCCOc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is KQWAENIASCZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-2-3-18-28-22-15-13-21(14-16-22)26-25(27)23-11-7-8-12-24(23)29-19-17-20-9-5-4-6-10-20/h4-16H,2-3,17-19H2,1H3,(H,26,27).
What are the key properties of N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide?
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 19628186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).