4-(4-phenylbutoxy)benzamide

C17H19NO2 — CID 11963163

IUPAC4-(4-phenylbutoxy)benzamide
SMILESNC(=O)c1ccc(OCCCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H2,18,19)
InChIKeyWVYJQNAFKSMNIT-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.19
Rot. Bonds7

About 4-(4-phenylbutoxy)benzamide

4-(4-phenylbutoxy)benzamide (PubChem CID 11963163) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(4-phenylbutoxy)benzamide.

Molecular Properties

Compound Name4-(4-phenylbutoxy)benzamide
PubChem CID11963163
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(4-phenylbutoxy)benzamide
SMILESNC(=O)c1ccc(OCCCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H2,18,19)
InChIKeyWVYJQNAFKSMNIT-UHFFFAOYSA-N
XLogP3.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-phenylpentoxy)benzamide
CID 142267536
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
4-(2-phenylethyl)benzamide
CID 23130460
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
dipotassium;1-bromo-4-(4-phenylbutoxy)benzene;carbonate
CID 157345780
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
8-phenyloctyl carbamate
CID 67180735
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
3-(2-phenylethoxy)benzamide
CID 17135006
4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956828
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutoxy)benzamide?
The IUPAC name of 4-(4-phenylbutoxy)benzamide (CID 11963163) is 4-(4-phenylbutoxy)benzamide.
What is the SMILES notation for 4-(4-phenylbutoxy)benzamide?
The canonical SMILES for 4-(4-phenylbutoxy)benzamide is NC(=O)c1ccc(OCCCCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylbutoxy)benzamide?
The InChIKey is WVYJQNAFKSMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H2,18,19).
What are the key properties of 4-(4-phenylbutoxy)benzamide?
4-(4-phenylbutoxy)benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutoxy)benzamide is sourced from PubChem (CID 11963163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).