1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide

C13H26N2O3 — CID 106842172

IUPAC1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCCO)C1(C)C
InChIInChI=1S/C13H26N2O3/c1-4-18-10-9-13(14,12(10,2)3)11(17)15-7-5-6-8-16/h10,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyXKIIWDCGKFNHDH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds7

About 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 106842172) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID106842172
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCCO)C1(C)C
InChIInChI=1S/C13H26N2O3/c1-4-18-10-9-13(14,12(10,2)3)11(17)15-7-5-6-8-16/h10,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyXKIIWDCGKFNHDH-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
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-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-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828882
1-amino-N-[2-(diethylamino)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827775
1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106147921
1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829054
1-amino-3-ethoxy-2,2-dimethyl-N-pent-3-ynylcyclobutane-1-carboxamide
CID 114830110
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 114828106
2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
CID 114829545
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 106842172) is 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCCCO)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is XKIIWDCGKFNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-18-10-9-13(14,12(10,2)3)11(17)15-7-5-6-8-16/h10,16H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 106842172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).