1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide

C12H22N2O2 — CID 114827944

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-5-7-14-10(15)12(13)8-9(16-6-2)11(12,3)4/h5,9H,1,6-8,13H2,2-4H3,(H,14,15)
InChIKeyVVRRKZVHLNNRQI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.82
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 114827944) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
PubChem CID114827944
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCNC(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-5-7-14-10(15)12(13)8-9(16-6-2)11(12,3)4/h5,9H,1,6-8,13H2,2-4H3,(H,14,15)
InChIKeyVVRRKZVHLNNRQI-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide (CID 114827944) is 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide is C=CCNC(=O)C1(N)CC(OCC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is VVRRKZVHLNNRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-7-14-10(15)12(13)8-9(16-6-2)11(12,3)4/h5,9H,1,6-8,13H2,2-4H3,(H,14,15).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 114827944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).