N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide

C14H26N2O3 — CID 65160094

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
SMILESNC1CCC(OCCNC(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-11-3-5-12(6-4-11)19-9-7-16-14(17)10-13-2-1-8-18-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeySNGOOJBIEWUFOB-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65160094) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
PubChem CID65160094
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
SMILESNC1CCC(OCCNC(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-11-3-5-12(6-4-11)19-9-7-16-14(17)10-13-2-1-8-18-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeySNGOOJBIEWUFOB-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.96
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-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
CID 63869806
N-[2-(4-aminocyclohexyl)oxyethyl]-2-cyclopent-2-en-1-ylacetamide
CID 63869968
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
CID 98574633
2-(2-aminocyclohexyl)-N-(2-cyclohexyloxyethyl)acetamide
CID 63834168
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
CID 62806705
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-(oxan-2-yl)-N-(2-piperidin-4-yloxyethyl)propanamide
CID 63952971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide (CID 65160094) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide is NC1CCC(OCCNC(=O)CC2CCCO2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is SNGOOJBIEWUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-11-3-5-12(6-4-11)19-9-7-16-14(17)10-13-2-1-8-18-13/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.96, 6 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]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65160094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).