N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide

C11H22N2O2 — CID 62760509

IUPACN-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide
SMILESCC(C)NCCNC(=O)C1CCCOC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-5-6-13-11(14)10-4-3-7-15-8-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyNROPFMWBOXCGJB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds5

About N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide

N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide (PubChem CID 62760509) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide
PubChem CID62760509
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide
SMILESCC(C)NCCNC(=O)C1CCCOC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-5-6-13-11(14)10-4-3-7-15-8-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyNROPFMWBOXCGJB-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide (CID 62760509) is N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide is CC(C)NCCNC(=O)C1CCCOC1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide?
The InChIKey is NROPFMWBOXCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-5-6-13-11(14)10-4-3-7-15-8-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide?
N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 62760509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).