4-amino-3-octan-2-yloxybenzamide

C15H24N2O2 — CID 63356712

IUPAC4-amino-3-octan-2-yloxybenzamide
SMILESCCCCCCC(C)Oc1cc(C(N)=O)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-11(2)19-14-10-12(15(17)18)8-9-13(14)16/h8-11H,3-7,16H2,1-2H3,(H2,17,18)
InChIKeyMXJKRSRKFDOATD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds8

About 4-amino-3-octan-2-yloxybenzamide

4-amino-3-octan-2-yloxybenzamide (PubChem CID 63356712) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-3-octan-2-yloxybenzamide.

Molecular Properties

Compound Name4-amino-3-octan-2-yloxybenzamide
PubChem CID63356712
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-3-octan-2-yloxybenzamide
SMILESCCCCCCC(C)Oc1cc(C(N)=O)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-11(2)19-14-10-12(15(17)18)8-9-13(14)16/h8-11H,3-7,16H2,1-2H3,(H2,17,18)
InChIKeyMXJKRSRKFDOATD-UHFFFAOYSA-N
XLogP3.11
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
3-amino-4-hexoxybenzamide
CID 43448578
4-amino-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276054
3-amino-4-octoxybenzamide
CID 43448577
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
4-amino-3-propoxybenzamide
CID 63356295
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
3-amino-4-butoxybenzamide
CID 43448596
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
4-amino-3-butan-2-yloxy-N-methylbenzamide
CID 63357542

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-octan-2-yloxybenzamide?
The IUPAC name of 4-amino-3-octan-2-yloxybenzamide (CID 63356712) is 4-amino-3-octan-2-yloxybenzamide.
What is the SMILES notation for 4-amino-3-octan-2-yloxybenzamide?
The canonical SMILES for 4-amino-3-octan-2-yloxybenzamide is CCCCCCC(C)Oc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-octan-2-yloxybenzamide?
The InChIKey is MXJKRSRKFDOATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-6-7-11(2)19-14-10-12(15(17)18)8-9-13(14)16/h8-11H,3-7,16H2,1-2H3,(H2,17,18).
What are the key properties of 4-amino-3-octan-2-yloxybenzamide?
4-amino-3-octan-2-yloxybenzamide has a molecular weight of 264.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-octan-2-yloxybenzamide is sourced from PubChem (CID 63356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).