2-(2-aminophenyl)octanamide

C14H22N2O — CID 141183798

IUPAC2-(2-aminophenyl)octanamide
SMILESCCCCCCC(C(N)=O)c1ccccc1N
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-9-12(14(16)17)11-8-6-7-10-13(11)15/h6-8,10,12H,2-5,9,15H2,1H3,(H2,16,17)
InChIKeyWKVAUDZRNMDNGN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.81
Rot. Bonds7

About 2-(2-aminophenyl)octanamide

2-(2-aminophenyl)octanamide (PubChem CID 141183798) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)octanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)octanamide
PubChem CID141183798
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-aminophenyl)octanamide
SMILESCCCCCCC(C(N)=O)c1ccccc1N
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-9-12(14(16)17)11-8-6-7-10-13(11)15/h6-8,10,12H,2-5,9,15H2,1H3,(H2,16,17)
InChIKeyWKVAUDZRNMDNGN-UHFFFAOYSA-N
XLogP2.81
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-phenylheptanamide
CID 67221214
2-icosan-9-ylaniline
CID 22408958
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(2-iodophenyl)hexanamide
CID 141277814
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199
2-(1,3-benzodioxol-4-yl)octanamide;hydrochloride
CID 139684216
2-[2-(diaminomethylideneamino)phenyl]henicosanoic acid
CID 69479694
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
ethyl 2-(2-aminophenyl)butanoate
CID 106988097
1-(2-aminophenyl)hexyl prop-2-enoate
CID 70261275
ethyl 2-(2-amino-3-methylphenyl)octanoate
CID 106987977
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)octanamide?
The IUPAC name of 2-(2-aminophenyl)octanamide (CID 141183798) is 2-(2-aminophenyl)octanamide.
What is the SMILES notation for 2-(2-aminophenyl)octanamide?
The canonical SMILES for 2-(2-aminophenyl)octanamide is CCCCCCC(C(N)=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)octanamide?
The InChIKey is WKVAUDZRNMDNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-9-12(14(16)17)11-8-6-7-10-13(11)15/h6-8,10,12H,2-5,9,15H2,1H3,(H2,16,17).
What are the key properties of 2-(2-aminophenyl)octanamide?
2-(2-aminophenyl)octanamide has a molecular weight of 234.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)octanamide is sourced from PubChem (CID 141183798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).