3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide

C14H20N2O — CID 115161310

IUPAC3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(N)C2)cc1C
InChIInChI=1S/C14H20N2O/c1-8-4-10(3)13(5-9(8)2)16-14(17)11-6-12(15)7-11/h4-5,11-12H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyUJFFVSUWZUTBCY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.29
Rot. Bonds2

About 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide

3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide (PubChem CID 115161310) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
PubChem CID115161310
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(N)C2)cc1C
InChIInChI=1S/C14H20N2O/c1-8-4-10(3)13(5-9(8)2)16-14(17)11-6-12(15)7-11/h4-5,11-12H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyUJFFVSUWZUTBCY-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide (CID 115161310) is 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CC(N)C2)cc1C.
What is the InChIKey of 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide?
The InChIKey is UJFFVSUWZUTBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8-4-10(3)13(5-9(8)2)16-14(17)11-6-12(15)7-11/h4-5,11-12H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide?
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).