4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide

C12H20N2O2 — CID 115295068

IUPAC4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide
SMILESNC1(C(=O)NC2CC=CCC2)CCOCC1
InChIInChI=1S/C12H20N2O2/c13-12(6-8-16-9-7-12)11(15)14-10-4-2-1-3-5-10/h1-2,10H,3-9,13H2,(H,14,15)
InChIKeyUXGMRAFCPUXDTE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.72
Rot. Bonds2

About 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide

4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide (PubChem CID 115295068) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide
PubChem CID115295068
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide
SMILESNC1(C(=O)NC2CC=CCC2)CCOCC1
InChIInChI=1S/C12H20N2O2/c13-12(6-8-16-9-7-12)11(15)14-10-4-2-1-3-5-10/h1-2,10H,3-9,13H2,(H,14,15)
InChIKeyUXGMRAFCPUXDTE-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide
CID 115976513
4-amino-N-(thian-3-yl)oxane-4-carboxamide
CID 115763432
4-amino-N-(2,2,3,3-tetramethylcyclopropyl)oxane-4-carboxamide
CID 113280863
1-amino-N-(oxolan-3-yl)cyclobutane-1-carboxamide
CID 81169684
4-amino-N-(2-cyclopropyloxolan-3-yl)oxane-4-carboxamide
CID 103951092
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
1-amino-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 81168637
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
CID 113280887
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592
4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
CID 113280766

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide?
The IUPAC name of 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide (CID 115295068) is 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide is NC1(C(=O)NC2CC=CCC2)CCOCC1.
What is the InChIKey of 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide?
The InChIKey is UXGMRAFCPUXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-12(6-8-16-9-7-12)11(15)14-10-4-2-1-3-5-10/h1-2,10H,3-9,13H2,(H,14,15).
What are the key properties of 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide?
4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide is sourced from PubChem (CID 115295068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).