6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H25N3O3 — CID 106915296

IUPAC6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCNC(=O)CCN(C)C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2)11-9(6-8-20-11)14(13,15)12(19)17(4)7-5-10(18)16-3/h9,11H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyLOAMGQHJRXSMMM-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.28
Rot. Bonds4

About 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 106915296) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID106915296
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCNC(=O)CCN(C)C(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2)11-9(6-8-20-11)14(13,15)12(19)17(4)7-5-10(18)16-3/h9,11H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyLOAMGQHJRXSMMM-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 106915296) is 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CNC(=O)CCN(C)C(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is LOAMGQHJRXSMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-13(2)11-9(6-8-20-11)14(13,15)12(19)17(4)7-5-10(18)16-3/h9,11H,5-8,15H2,1-4H3,(H,16,18).
What are the key properties of 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,7,7-trimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 106915296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).