N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide

C17H26N2O2 — CID 65019096

IUPACN-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
SMILESNCCOc1cccc(NC(=O)C2CCCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c18-11-12-21-16-10-6-9-15(13-16)19-17(20)14-7-4-2-1-3-5-8-14/h6,9-10,13-14H,1-5,7-8,11-12,18H2,(H,19,20)
InChIKeyVAEMOHWGRVUGIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide

N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide (PubChem CID 65019096) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
PubChem CID65019096
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
SMILESNCCOc1cccc(NC(=O)C2CCCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c18-11-12-21-16-10-6-9-15(13-16)19-17(20)14-7-4-2-1-3-5-8-14/h6,9-10,13-14H,1-5,7-8,11-12,18H2,(H,19,20)
InChIKeyVAEMOHWGRVUGIY-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106825950
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316
N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877953
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide (CID 65019096) is N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide is NCCOc1cccc(NC(=O)C2CCCCCCC2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide?
The InChIKey is VAEMOHWGRVUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-11-12-21-16-10-6-9-15(13-16)19-17(20)14-7-4-2-1-3-5-8-14/h6,9-10,13-14H,1-5,7-8,11-12,18H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide?
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide is sourced from PubChem (CID 65019096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).