1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C14H26N2O3 — CID 114828882

IUPAC1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESC=COCCCNC(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-5-18-9-7-8-16-12(17)14(15)10-11(19-6-2)13(14,3)4/h5,11H,1,6-10,15H2,2-4H3,(H,16,17)
InChIKeyNATCVDMJXVJGKM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.19
Rot. Bonds8

About 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114828882) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114828882
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESC=COCCCNC(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-5-18-9-7-8-16-12(17)14(15)10-11(19-6-2)13(14,3)4/h5,11H,1,6-10,15H2,2-4H3,(H,16,17)
InChIKeyNATCVDMJXVJGKM-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829054
1-amino-3-ethoxy-2,2-dimethyl-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011244
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
CID 114829545
1-amino-N-[2-(diethylamino)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827775
1-amino-3-ethoxy-2,2-dimethyl-N-pent-3-ynylcyclobutane-1-carboxamide
CID 114830110
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 114828106
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 114828882) is 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is C=COCCCNC(=O)C1(N)CC(OCC)C1(C)C.
What is the InChIKey of 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is NATCVDMJXVJGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-18-9-7-8-16-12(17)14(15)10-11(19-6-2)13(14,3)4/h5,11H,1,6-10,15H2,2-4H3,(H,16,17).
What are the key properties of 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114828882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).