N-methoxy-N,3-dimethylazetidine-3-carboxamide

C7H14N2O2 — CID 130808649

IUPACN-methoxy-N,3-dimethylazetidine-3-carboxamide
SMILESCON(C)C(=O)C1(C)CNC1
InChIInChI=1S/C7H14N2O2/c1-7(4-8-5-7)6(10)9(2)11-3/h8H,4-5H2,1-3H3
InChIKeyMJSXEZLKXWOTMQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.38
Rot. Bonds2

About N-methoxy-N,3-dimethylazetidine-3-carboxamide

N-methoxy-N,3-dimethylazetidine-3-carboxamide (PubChem CID 130808649) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-methoxy-N,3-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethylazetidine-3-carboxamide
PubChem CID130808649
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-methoxy-N,3-dimethylazetidine-3-carboxamide
SMILESCON(C)C(=O)C1(C)CNC1
InChIInChI=1S/C7H14N2O2/c1-7(4-8-5-7)6(10)9(2)11-3/h8H,4-5H2,1-3H3
InChIKeyMJSXEZLKXWOTMQ-UHFFFAOYSA-N
XLogP-0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methoxy-N,3-dimethylazetidine-3-carboxamide?
The IUPAC name of N-methoxy-N,3-dimethylazetidine-3-carboxamide (CID 130808649) is N-methoxy-N,3-dimethylazetidine-3-carboxamide.
What is the SMILES notation for N-methoxy-N,3-dimethylazetidine-3-carboxamide?
The canonical SMILES for N-methoxy-N,3-dimethylazetidine-3-carboxamide is CON(C)C(=O)C1(C)CNC1.
What is the InChIKey of N-methoxy-N,3-dimethylazetidine-3-carboxamide?
The InChIKey is MJSXEZLKXWOTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(4-8-5-7)6(10)9(2)11-3/h8H,4-5H2,1-3H3.
What are the key properties of N-methoxy-N,3-dimethylazetidine-3-carboxamide?
N-methoxy-N,3-dimethylazetidine-3-carboxamide has a molecular weight of 158.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 130808649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).