N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide

C20H26N2O — CID 4883439

IUPACN-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
SMILESCCc1ccc(CN(C)C(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-4-17-10-12-19(13-11-17)15-22(3)16(2)20(23)21-14-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)
InChIKeyHEUVAIYAUWFMBK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.39
Rot. Bonds7

About N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide

N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide (PubChem CID 4883439) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
PubChem CID4883439
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
SMILESCCc1ccc(CN(C)C(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-4-17-10-12-19(13-11-17)15-22(3)16(2)20(23)21-14-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)
InChIKeyHEUVAIYAUWFMBK-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide (CID 4883439) is N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide is CCc1ccc(CN(C)C(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
The InChIKey is HEUVAIYAUWFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-17-10-12-19(13-11-17)15-22(3)16(2)20(23)21-14-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide?
N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 4883439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).