N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide

C14H26N2O3 — CID 55251927

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
SMILESNC1CCC(OCCCNC(=O)C2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-11-4-6-12(7-5-11)18-10-2-8-16-14(17)13-3-1-9-19-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyYSOYEVVJKYSPBP-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.96
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide

N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide (PubChem CID 55251927) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
PubChem CID55251927
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
SMILESNC1CCC(OCCCNC(=O)C2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-11-4-6-12(7-5-11)18-10-2-8-16-14(17)13-3-1-9-19-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyYSOYEVVJKYSPBP-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide (CID 55251927) is N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide is NC1CCC(OCCCNC(=O)C2CCCO2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
The InChIKey is YSOYEVVJKYSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-11-4-6-12(7-5-11)18-10-2-8-16-14(17)13-3-1-9-19-13/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide 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-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide is sourced from PubChem (CID 55251927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).