1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide

C11H22N2O3 — CID 114828939

IUPAC1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)OC)C1(C)C
InChIInChI=1S/C11H22N2O3/c1-6-16-8-7-11(12,10(8,2)3)9(14)13(4)15-5/h8H,6-7,12H2,1-5H3
InChIKeyYNWUEZXMONCTEG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.54
Rot. Bonds4

About 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide (PubChem CID 114828939) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
PubChem CID114828939
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)OC)C1(C)C
InChIInChI=1S/C11H22N2O3/c1-6-16-8-7-11(12,10(8,2)3)9(14)13(4)15-5/h8H,6-7,12H2,1-5H3
InChIKeyYNWUEZXMONCTEG-UHFFFAOYSA-N
XLogP0.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.54
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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Related Compounds

1-amino-3-ethoxy-N-ethyl-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828043
1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
CID 120607801
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439
1-amino-3-ethoxy-N-(2-hydroxyethyl)-2,2-dimethyl-N-propylcyclobutane-1-carboxamide
CID 114828620
1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 105055949
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 114828630
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114828666

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide (CID 114828939) is 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(C)OC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide?
The InChIKey is YNWUEZXMONCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-16-8-7-11(12,10(8,2)3)9(14)13(4)15-5/h8H,6-7,12H2,1-5H3.
What are the key properties of 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114828939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).