4-amino-N-methoxy-N-methyloxane-4-carboxamide

C8H16N2O3 — CID 115294673

IUPAC4-amino-N-methoxy-N-methyloxane-4-carboxamide
SMILESCON(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C8H16N2O3/c1-10(12-2)7(11)8(9)3-5-13-6-4-8/h3-6,9H2,1-2H3
InChIKeySHKARDITHFWRSZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.49
Rot. Bonds2

About 4-amino-N-methoxy-N-methyloxane-4-carboxamide

4-amino-N-methoxy-N-methyloxane-4-carboxamide (PubChem CID 115294673) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-N-methoxy-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methoxy-N-methyloxane-4-carboxamide
PubChem CID115294673
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-amino-N-methoxy-N-methyloxane-4-carboxamide
SMILESCON(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C8H16N2O3/c1-10(12-2)7(11)8(9)3-5-13-6-4-8/h3-6,9H2,1-2H3
InChIKeySHKARDITHFWRSZ-UHFFFAOYSA-N
XLogP-0.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methoxy-N-methyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-methoxy-N-methyloxane-4-carboxamide (CID 115294673) is 4-amino-N-methoxy-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-methoxy-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-methoxy-N-methyloxane-4-carboxamide is CON(C)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-methoxy-N-methyloxane-4-carboxamide?
The InChIKey is SHKARDITHFWRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-10(12-2)7(11)8(9)3-5-13-6-4-8/h3-6,9H2,1-2H3.
What are the key properties of 4-amino-N-methoxy-N-methyloxane-4-carboxamide?
4-amino-N-methoxy-N-methyloxane-4-carboxamide has a molecular weight of 188.23 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxy-N-methyloxane-4-carboxamide is sourced from PubChem (CID 115294673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).