(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide

C17H30N2O2 — CID 99849743

IUPAC(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)[C@@H]1CC12CCOCC2
InChIInChI=1S/C17H30N2O2/c20-16(15-13-17(15)7-11-21-12-8-17)19-10-9-18-14-5-3-1-2-4-6-14/h14-15,18H,1-13H2,(H,19,20)/t15-/m0/s1
InChIKeyNYDQSIFIFVIHKU-HNNXBMFYSA-N
MW294.44 g/mol
LogP2.23
Rot. Bonds5

About (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide

(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 99849743) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID99849743
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)[C@@H]1CC12CCOCC2
InChIInChI=1S/C17H30N2O2/c20-16(15-13-17(15)7-11-21-12-8-17)19-10-9-18-14-5-3-1-2-4-6-14/h14-15,18H,1-13H2,(H,19,20)/t15-/m0/s1
InChIKeyNYDQSIFIFVIHKU-HNNXBMFYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 99849743) is (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide is O=C(NCCNC1CCCCCC1)[C@@H]1CC12CCOCC2.
What is the InChIKey of (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is NYDQSIFIFVIHKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16(15-13-17(15)7-11-21-12-8-17)19-10-9-18-14-5-3-1-2-4-6-14/h14-15,18H,1-13H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide?
(2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cycloheptylamino)ethyl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 99849743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).