2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide

C14H20N2O — CID 115039072

IUPAC2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C14H20N2O/c1-13(2,12(17)16-3)10-5-4-6-11(9-10)14(15)7-8-14/h4-6,9H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyKWOCKLNDHACUGA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.66
Rot. Bonds3

About 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide

2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 115039072) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide
PubChem CID115039072
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C14H20N2O/c1-13(2,12(17)16-3)10-5-4-6-11(9-10)14(15)7-8-14/h4-6,9H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyKWOCKLNDHACUGA-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide (CID 115039072) is 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide?
The InChIKey is KWOCKLNDHACUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-13(2,12(17)16-3)10-5-4-6-11(9-10)14(15)7-8-14/h4-6,9H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide?
2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115039072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).