4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide

C12H23N3O3 — CID 115294462

IUPAC4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H23N3O3/c1-3-6-15(9-10(16)14-2)11(17)12(13)4-7-18-8-5-12/h3-9,13H2,1-2H3,(H,14,16)
InChIKeyUFOBQAYFDDJTNA-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds5

About 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide

4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide (PubChem CID 115294462) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide
PubChem CID115294462
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H23N3O3/c1-3-6-15(9-10(16)14-2)11(17)12(13)4-7-18-8-5-12/h3-9,13H2,1-2H3,(H,14,16)
InChIKeyUFOBQAYFDDJTNA-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide (CID 115294462) is 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide is CCCN(CC(=O)NC)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide?
The InChIKey is UFOBQAYFDDJTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-6-15(9-10(16)14-2)11(17)12(13)4-7-18-8-5-12/h3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide?
4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methylamino)-2-oxoethyl]-N-propyloxane-4-carboxamide is sourced from PubChem (CID 115294462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).