3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide

C15H22N2O — CID 115748794

IUPAC3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
SMILESCCC1(NC(=O)CC(N)c2ccccc2)CCC1
InChIInChI=1S/C15H22N2O/c1-2-15(9-6-10-15)17-14(18)11-13(16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3,(H,17,18)
InChIKeyUGIYSHSKRAJGTO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.53
Rot. Bonds5

About 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide

3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide (PubChem CID 115748794) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
PubChem CID115748794
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
SMILESCCC1(NC(=O)CC(N)c2ccccc2)CCC1
InChIInChI=1S/C15H22N2O/c1-2-15(9-6-10-15)17-14(18)11-13(16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3,(H,17,18)
InChIKeyUGIYSHSKRAJGTO-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide (CID 115748794) is 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide is CCC1(NC(=O)CC(N)c2ccccc2)CCC1.
What is the InChIKey of 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide?
The InChIKey is UGIYSHSKRAJGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-15(9-6-10-15)17-14(18)11-13(16)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide?
3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide is sourced from PubChem (CID 115748794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).