4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide

C15H30N2O2 — CID 115295136

IUPAC4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H30N2O2/c1-5-13(6-2)17(11-12(3)4)14(18)15(16)7-9-19-10-8-15/h12-13H,5-11,16H2,1-4H3
InChIKeyXHEDWSVERQVACA-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide

4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide (PubChem CID 115295136) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
PubChem CID115295136
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H30N2O2/c1-5-13(6-2)17(11-12(3)4)14(18)15(16)7-9-19-10-8-15/h12-13H,5-11,16H2,1-4H3
InChIKeyXHEDWSVERQVACA-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide (CID 115295136) is 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide is CCC(CC)N(CC(C)C)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide?
The InChIKey is XHEDWSVERQVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13(6-2)17(11-12(3)4)14(18)15(16)7-9-19-10-8-15/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide?
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide is sourced from PubChem (CID 115295136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).