3-amino-2-nonoxybenzamide

C16H26N2O2 — CID 107873437

IUPAC3-amino-2-nonoxybenzamide
SMILESCCCCCCCCCOc1c(N)cccc1C(N)=O
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-8-12-20-15-13(16(18)19)10-9-11-14(15)17/h9-11H,2-8,12,17H2,1H3,(H2,18,19)
InChIKeyMIRQAUTUPDVGIU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.50
Rot. Bonds10

About 3-amino-2-nonoxybenzamide

3-amino-2-nonoxybenzamide (PubChem CID 107873437) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-2-nonoxybenzamide.

Molecular Properties

Compound Name3-amino-2-nonoxybenzamide
PubChem CID107873437
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-2-nonoxybenzamide
SMILESCCCCCCCCCOc1c(N)cccc1C(N)=O
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-8-12-20-15-13(16(18)19)10-9-11-14(15)17/h9-11H,2-8,12,17H2,1H3,(H2,18,19)
InChIKeyMIRQAUTUPDVGIU-UHFFFAOYSA-N
XLogP3.50
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.50
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-2-(6-hydroxyhexoxy)benzamide
CID 114011440
3-amino-2-pentoxybenzoic acid
CID 112579762
2,3,4-tridodecoxybenzamide
CID 172754331
2-ethyl-3-pentoxybenzamide
CID 67228177
3-fluoro-2-hexoxyaniline
CID 104831272
3-amino-2-(2-phenylsulfanylethoxy)benzamide
CID 107873530
methyl 3-amino-2-(2-butoxyethoxy)benzoate
CID 112579697
dodecyl 2-aminobenzoate
CID 5095316
2-amino-3-octoxybenzoic acid
CID 113333300
3-butoxy-2-(2-methoxyphenoxy)benzamide
CID 118525333
2-(diethylamino)ethyl 3-amino-2-butoxybenzoate
CID 19247
3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 107873570

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-nonoxybenzamide?
The IUPAC name of 3-amino-2-nonoxybenzamide (CID 107873437) is 3-amino-2-nonoxybenzamide.
What is the SMILES notation for 3-amino-2-nonoxybenzamide?
The canonical SMILES for 3-amino-2-nonoxybenzamide is CCCCCCCCCOc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-nonoxybenzamide?
The InChIKey is MIRQAUTUPDVGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-8-12-20-15-13(16(18)19)10-9-11-14(15)17/h9-11H,2-8,12,17H2,1H3,(H2,18,19).
What are the key properties of 3-amino-2-nonoxybenzamide?
3-amino-2-nonoxybenzamide has a molecular weight of 278.40 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-nonoxybenzamide is sourced from PubChem (CID 107873437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).