1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide

C15H26N4O2 — CID 114828245

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)Cn2cccn2)C1(C)C
InChIInChI=1S/C15H26N4O2/c1-5-21-12-9-15(16,14(12,3)4)13(20)18-11(2)10-19-8-6-7-17-19/h6-8,11-12H,5,9-10,16H2,1-4H3,(H,18,20)
InChIKeyVFILBEMLURWFHZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.92
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 114828245) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID114828245
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)Cn2cccn2)C1(C)C
InChIInChI=1S/C15H26N4O2/c1-5-21-12-9-15(16,14(12,3)4)13(20)18-11(2)10-19-8-6-7-17-19/h6-8,11-12H,5,9-10,16H2,1-4H3,(H,18,20)
InChIKeyVFILBEMLURWFHZ-UHFFFAOYSA-N
XLogP0.92
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide (CID 114828245) is 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC(C)Cn2cccn2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is VFILBEMLURWFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-21-12-9-15(16,14(12,3)4)13(20)18-11(2)10-19-8-6-7-17-19/h6-8,11-12H,5,9-10,16H2,1-4H3,(H,18,20).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114828245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).