1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide

C11H20N2O2 — CID 114467928

IUPAC1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1(N)CCC1
InChIInChI=1S/C11H20N2O2/c1-9(2)8-15-7-6-13-10(14)11(12)4-3-5-11/h1,3-8,12H2,2H3,(H,13,14)
InChIKeyXPWCMMTZNVNUTM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.58
Rot. Bonds6

About 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide (PubChem CID 114467928) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide
PubChem CID114467928
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1(N)CCC1
InChIInChI=1S/C11H20N2O2/c1-9(2)8-15-7-6-13-10(14)11(12)4-3-5-11/h1,3-8,12H2,2H3,(H,13,14)
InChIKeyXPWCMMTZNVNUTM-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 105060872
1-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 114127451
1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
CID 113463827
1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 114162134
2-[1-(methylamino)cyclohexyl]-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114467920
1-amino-N-(2-but-3-enoxyethyl)cyclopropane-1-carboxamide
CID 103950980
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279337
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 114467822
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide (CID 114467928) is 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide is C=C(C)COCCNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide?
The InChIKey is XPWCMMTZNVNUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)8-15-7-6-13-10(14)11(12)4-3-5-11/h1,3-8,12H2,2H3,(H,13,14).
What are the key properties of 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).