2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide

C15H24N2O — CID 54891464

IUPAC2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide
SMILESCCc1ccc(C(C)(NCC(C)C)C(N)=O)cc1
InChIInChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)15(4,14(16)18)17-10-11(2)3/h6-9,11,17H,5,10H2,1-4H3,(H2,16,18)
InChIKeyPDGLCSQWLDYPBA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds6

About 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide

2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide (PubChem CID 54891464) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide
PubChem CID54891464
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide
SMILESCCc1ccc(C(C)(NCC(C)C)C(N)=O)cc1
InChIInChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)15(4,14(16)18)17-10-11(2)3/h6-9,11,17H,5,10H2,1-4H3,(H2,16,18)
InChIKeyPDGLCSQWLDYPBA-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide?
The IUPAC name of 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide (CID 54891464) is 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide?
The canonical SMILES for 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide is CCc1ccc(C(C)(NCC(C)C)C(N)=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide?
The InChIKey is PDGLCSQWLDYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-12-6-8-13(9-7-12)15(4,14(16)18)17-10-11(2)3/h6-9,11,17H,5,10H2,1-4H3,(H2,16,18).
What are the key properties of 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide?
2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide is sourced from PubChem (CID 54891464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).