nonyl 5-amino-2-methoxybenzoate

C17H27NO3 — CID 63450276

IUPACnonyl 5-amino-2-methoxybenzoate
SMILESCCCCCCCCCOC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-12-21-17(19)15-13-14(18)10-11-16(15)20-2/h10-11,13H,3-9,12,18H2,1-2H3
InChIKeyCOTWWXLSEKQAQB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.18
Rot. Bonds10

About nonyl 5-amino-2-methoxybenzoate

nonyl 5-amino-2-methoxybenzoate (PubChem CID 63450276) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is nonyl 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Namenonyl 5-amino-2-methoxybenzoate
PubChem CID63450276
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namenonyl 5-amino-2-methoxybenzoate
SMILESCCCCCCCCCOC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-12-21-17(19)15-13-14(18)10-11-16(15)20-2/h10-11,13H,3-9,12,18H2,1-2H3
InChIKeyCOTWWXLSEKQAQB-UHFFFAOYSA-N
XLogP4.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

hexyl 5-amino-2-(4-amino-2-hexoxycarbonylphenyl)benzoate
CID 100954905
methyl 5-amino-2-heptoxybenzoate
CID 61306699
ethyl 5-amino-2-methoxybenzoate
CID 22180184
4-amino-2-hexoxycarbonylbenzoic acid
CID 101454574
5-amino-2-octoxycarbonylbenzoic acid
CID 141472571
1-O-ethyl 2-O-hexyl 4-aminobenzene-1,2-dicarboxylate
CID 70177918
pentyl 5-amino-2-hydroxybenzoate
CID 61302134
octyl 5-amino-2-(dimethylamino)benzoate
CID 63446936
nonyl 4-amino-2-fluorobenzoate
CID 63450769
hexyl 2-acetamido-5-aminobenzoate
CID 157010770
2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
CID 112588565
hexyl 3-amino-4-methoxybenzoate
CID 61310261

Frequently Asked Questions

What is the IUPAC name of nonyl 5-amino-2-methoxybenzoate?
The IUPAC name of nonyl 5-amino-2-methoxybenzoate (CID 63450276) is nonyl 5-amino-2-methoxybenzoate.
What is the SMILES notation for nonyl 5-amino-2-methoxybenzoate?
The canonical SMILES for nonyl 5-amino-2-methoxybenzoate is CCCCCCCCCOC(=O)c1cc(N)ccc1OC.
What is the InChIKey of nonyl 5-amino-2-methoxybenzoate?
The InChIKey is COTWWXLSEKQAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-12-21-17(19)15-13-14(18)10-11-16(15)20-2/h10-11,13H,3-9,12,18H2,1-2H3.
What are the key properties of nonyl 5-amino-2-methoxybenzoate?
nonyl 5-amino-2-methoxybenzoate has a molecular weight of 293.41 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 5-amino-2-methoxybenzoate is sourced from PubChem (CID 63450276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).