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

C12H24N2O3 — CID 114827759

IUPAC1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCOC)C1(C)C
InChIInChI=1S/C12H24N2O3/c1-5-17-9-8-12(13,11(9,2)3)10(15)14-6-7-16-4/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHICQFMILAAOMFB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds6

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

1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114827759) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114827759
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCOC)C1(C)C
InChIInChI=1S/C12H24N2O3/c1-5-17-9-8-12(13,11(9,2)3)10(15)14-6-7-16-4/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyHICQFMILAAOMFB-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829054
2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
CID 114829545
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828882
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
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-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011244
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 114828106
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-methoxybutanoic acid
CID 114829126

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 114827759) is 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCOC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is HICQFMILAAOMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-17-9-8-12(13,11(9,2)3)10(15)14-6-7-16-4/h9H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114827759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).