1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide

C14H28N2O4 — CID 114829054

IUPAC1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCOCCOC)C1(C)C
InChIInChI=1S/C14H28N2O4/c1-5-20-11-10-14(15,13(11,2)3)12(17)16-6-7-19-9-8-18-4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyBFBAHFIXFVOSDA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.30
Rot. Bonds9

About 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114829054) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114829054
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCOCCOC)C1(C)C
InChIInChI=1S/C14H28N2O4/c1-5-20-11-10-14(15,13(11,2)3)12(17)16-6-7-19-9-8-18-4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyBFBAHFIXFVOSDA-UHFFFAOYSA-N
XLogP0.30
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
CID 105055889
1-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 105055985
1-amino-N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 105910304
1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutane-1-carboxamide
CID 105937472
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291837
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 113639724
1-amino-N-(2,2-difluoroethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 113639809
1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide
CID 114829212
1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
CID 114829296
1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide
CID 114829739
1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide
CID 114829741
1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide;hydrochloride
CID 120448535

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide (CID 114829054) is 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCOCCOC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is BFBAHFIXFVOSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-20-11-10-14(15,13(11,2)3)12(17)16-6-7-19-9-8-18-4/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).