2-amino-N-cyclooctyl-6-ethoxybenzamide

C17H26N2O2 — CID 81396294

IUPAC2-amino-N-cyclooctyl-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-21-15-12-8-11-14(18)16(15)17(20)19-13-9-6-4-3-5-7-10-13/h8,11-13H,2-7,9-10,18H2,1H3,(H,19,20)
InChIKeyITFDPUXGZDDHRZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.51
Rot. Bonds4

About 2-amino-N-cyclooctyl-6-ethoxybenzamide

2-amino-N-cyclooctyl-6-ethoxybenzamide (PubChem CID 81396294) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-cyclooctyl-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-cyclooctyl-6-ethoxybenzamide
PubChem CID81396294
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-cyclooctyl-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NC1CCCCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-21-15-12-8-11-14(18)16(15)17(20)19-13-9-6-4-3-5-7-10-13/h8,11-13H,2-7,9-10,18H2,1H3,(H,19,20)
InChIKeyITFDPUXGZDDHRZ-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.51
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-cyclopentyl-2,6-diethoxybenzamide
CID 118034872
2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
CID 81395055
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
2-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethoxybenzamide
CID 81420200
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclooctyl-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-cyclooctyl-6-ethoxybenzamide (CID 81396294) is 2-amino-N-cyclooctyl-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-cyclooctyl-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-cyclooctyl-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)NC1CCCCCCC1.
What is the InChIKey of 2-amino-N-cyclooctyl-6-ethoxybenzamide?
The InChIKey is ITFDPUXGZDDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-21-15-12-8-11-14(18)16(15)17(20)19-13-9-6-4-3-5-7-10-13/h8,11-13H,2-7,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-cyclooctyl-6-ethoxybenzamide?
2-amino-N-cyclooctyl-6-ethoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclooctyl-6-ethoxybenzamide is sourced from PubChem (CID 81396294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).