N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide

C14H28N2O2 — CID 106140226

IUPACN-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(C)(C)CCN)C1C
InChIInChI=1S/C14H28N2O2/c1-9-10(2)18-11(3)12(9)13(17)16-8-14(4,5)6-7-15/h9-12H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyKXPNOPPRAKZRBZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.54
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 106140226) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID106140226
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(C)(C)CCN)C1C
InChIInChI=1S/C14H28N2O2/c1-9-10(2)18-11(3)12(9)13(17)16-8-14(4,5)6-7-15/h9-12H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyKXPNOPPRAKZRBZ-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 106140226) is N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC(C)(C)CCN)C1C.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is KXPNOPPRAKZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9-10(2)18-11(3)12(9)13(17)16-8-14(4,5)6-7-15/h9-12H,6-8,15H2,1-5H3,(H,16,17).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 106140226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).