3-amino-4-octoxybenzamide

C15H24N2O2 — CID 43448577

IUPAC3-amino-4-octoxybenzamide
SMILESCCCCCCCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11H,2-7,10,16H2,1H3,(H2,17,18)
InChIKeyQWQWIPPMFNGWQE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds9

About 3-amino-4-octoxybenzamide

3-amino-4-octoxybenzamide (PubChem CID 43448577) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-4-octoxybenzamide.

Molecular Properties

Compound Name3-amino-4-octoxybenzamide
PubChem CID43448577
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-4-octoxybenzamide
SMILESCCCCCCCCOc1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11H,2-7,10,16H2,1H3,(H2,17,18)
InChIKeyQWQWIPPMFNGWQE-UHFFFAOYSA-N
XLogP3.11
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-butoxybenzamide
CID 43448596
4-methoxy-3-pentoxybenzamide
CID 82041442
3-chloro-4-dodecoxybenzamide
CID 172740881
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
4-(3-amino-4-octoxyphenyl)benzoic acid
CID 22131860
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
4-butoxy-3-methoxybenzamide
CID 47102628
4-amino-3-propoxybenzamide
CID 63356295
1-(3-amino-4-butoxyphenyl)-2,2,2-trifluoroethanone
CID 82152534
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-octoxybenzamide?
The IUPAC name of 3-amino-4-octoxybenzamide (CID 43448577) is 3-amino-4-octoxybenzamide.
What is the SMILES notation for 3-amino-4-octoxybenzamide?
The canonical SMILES for 3-amino-4-octoxybenzamide is CCCCCCCCOc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-octoxybenzamide?
The InChIKey is QWQWIPPMFNGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-10-19-14-9-8-12(15(17)18)11-13(14)16/h8-9,11H,2-7,10,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-4-octoxybenzamide?
3-amino-4-octoxybenzamide has a molecular weight of 264.37 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-octoxybenzamide is sourced from PubChem (CID 43448577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).