N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide

C14H26N2O3 — CID 63869806

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H26N2O3/c15-12-3-5-13(6-4-12)19-9-7-16-14(17)11-2-1-8-18-10-11/h11-13H,1-10,15H2,(H,16,17)
InChIKeyUDRKWJHPTMYZHA-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.82
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide (PubChem CID 63869806) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
PubChem CID63869806
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
SMILESNC1CCC(OCCNC(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H26N2O3/c15-12-3-5-13(6-4-12)19-9-7-16-14(17)11-2-1-8-18-10-11/h11-13H,1-10,15H2,(H,16,17)
InChIKeyUDRKWJHPTMYZHA-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
CID 65160094
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[2-(2,4,6-trichlorophenoxy)ethyl]oxane-3-carboxamide
CID 75424722
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide (CID 63869806) is N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide is NC1CCC(OCCNC(=O)C2CCCOC2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide?
The InChIKey is UDRKWJHPTMYZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-12-3-5-13(6-4-12)19-9-7-16-14(17)11-2-1-8-18-10-11/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide is sourced from PubChem (CID 63869806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).