N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide

C16H24N2O2 — CID 65023208

IUPACN-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCCCCC2)cc1N
InChIInChI=1S/C16H24N2O2/c1-20-15-10-9-13(11-14(15)17)18-16(19)12-7-5-3-2-4-6-8-12/h9-12H,2-8,17H2,1H3,(H,18,19)
InChIKeyBNWWUGUDZFEIKF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.58
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide

N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide (PubChem CID 65023208) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
PubChem CID65023208
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCCCCC2)cc1N
InChIInChI=1S/C16H24N2O2/c1-20-15-10-9-13(11-14(15)17)18-16(19)12-7-5-3-2-4-6-8-12/h9-12H,2-8,17H2,1H3,(H,18,19)
InChIKeyBNWWUGUDZFEIKF-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-amino-4-methoxyphenyl)-1,1-dioxothiane-2-carboxamide
CID 104517382
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide (CID 65023208) is N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide is COc1ccc(NC(=O)C2CCCCCCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide?
The InChIKey is BNWWUGUDZFEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-10-9-13(11-14(15)17)18-16(19)12-7-5-3-2-4-6-8-12/h9-12H,2-8,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide?
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide is sourced from PubChem (CID 65023208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).