3-(5-butoxypentoxy)benzamide

C16H25NO3 — CID 71713772

IUPAC3-(5-butoxypentoxy)benzamide
SMILESCCCCOCCCCCOc1cccc(C(N)=O)c1
InChIInChI=1S/C16H25NO3/c1-2-3-10-19-11-5-4-6-12-20-15-9-7-8-14(13-15)16(17)18/h7-9,13H,2-6,10-12H2,1H3,(H2,17,18)
InChIKeyYCVOMNOZHCIGIV-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.15
Rot. Bonds11

About 3-(5-butoxypentoxy)benzamide

3-(5-butoxypentoxy)benzamide (PubChem CID 71713772) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(5-butoxypentoxy)benzamide.

Molecular Properties

Compound Name3-(5-butoxypentoxy)benzamide
PubChem CID71713772
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(5-butoxypentoxy)benzamide
SMILESCCCCOCCCCCOc1cccc(C(N)=O)c1
InChIInChI=1S/C16H25NO3/c1-2-3-10-19-11-5-4-6-12-20-15-9-7-8-14(13-15)16(17)18/h7-9,13H,2-6,10-12H2,1H3,(H2,17,18)
InChIKeyYCVOMNOZHCIGIV-UHFFFAOYSA-N
XLogP3.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.15
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

3-propoxybenzamide
CID 22311435
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
3-(6-bromohexoxy)benzamide
CID 59402930
3-(10-bromodecoxy)benzamide
CID 59402968
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
methyl 3-octoxybenzoate
CID 72706029
1-(3-henicosoxyphenyl)ethanone
CID 23127401
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
3-tetradecoxybenzoate
CID 168826216
3,5-di(pentadecoxy)benzamide
CID 69275649
3-pentoxybenzohydrazide
CID 54793157

Frequently Asked Questions

What is the IUPAC name of 3-(5-butoxypentoxy)benzamide?
The IUPAC name of 3-(5-butoxypentoxy)benzamide (CID 71713772) is 3-(5-butoxypentoxy)benzamide.
What is the SMILES notation for 3-(5-butoxypentoxy)benzamide?
The canonical SMILES for 3-(5-butoxypentoxy)benzamide is CCCCOCCCCCOc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(5-butoxypentoxy)benzamide?
The InChIKey is YCVOMNOZHCIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-10-19-11-5-4-6-12-20-15-9-7-8-14(13-15)16(17)18/h7-9,13H,2-6,10-12H2,1H3,(H2,17,18).
What are the key properties of 3-(5-butoxypentoxy)benzamide?
3-(5-butoxypentoxy)benzamide has a molecular weight of 279.38 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butoxypentoxy)benzamide is sourced from PubChem (CID 71713772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).