N-(oxan-4-ylmethyl)azocane-2-carboxamide

C14H26N2O2 — CID 114240145

IUPACN-(oxan-4-ylmethyl)azocane-2-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCCCCCN1
InChIInChI=1S/C14H26N2O2/c17-14(13-5-3-1-2-4-8-15-13)16-11-12-6-9-18-10-7-12/h12-13,15H,1-11H2,(H,16,17)
InChIKeyBPFCLNRCDSFYBA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds3

About N-(oxan-4-ylmethyl)azocane-2-carboxamide

N-(oxan-4-ylmethyl)azocane-2-carboxamide (PubChem CID 114240145) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)azocane-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)azocane-2-carboxamide
PubChem CID114240145
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(oxan-4-ylmethyl)azocane-2-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCCCCCN1
InChIInChI=1S/C14H26N2O2/c17-14(13-5-3-1-2-4-8-15-13)16-11-12-6-9-18-10-7-12/h12-13,15H,1-11H2,(H,16,17)
InChIKeyBPFCLNRCDSFYBA-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-N-[(4-hydroxycyclohexyl)methyl]piperidine-2-carboxamide
CID 106135357
N-(cyclooctylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119741853
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119290243
N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 18072457
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
N-[3-(oxan-4-yloxy)propyl]piperidine-2-carboxamide
CID 119334628
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)azocane-2-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)azocane-2-carboxamide (CID 114240145) is N-(oxan-4-ylmethyl)azocane-2-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)azocane-2-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)azocane-2-carboxamide is O=C(NCC1CCOCC1)C1CCCCCCN1.
What is the InChIKey of N-(oxan-4-ylmethyl)azocane-2-carboxamide?
The InChIKey is BPFCLNRCDSFYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(13-5-3-1-2-4-8-15-13)16-11-12-6-9-18-10-7-12/h12-13,15H,1-11H2,(H,16,17).
What are the key properties of N-(oxan-4-ylmethyl)azocane-2-carboxamide?
N-(oxan-4-ylmethyl)azocane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)azocane-2-carboxamide is sourced from PubChem (CID 114240145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).