3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide

C18H22N2O — CID 62876984

IUPAC3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
SMILESCCN(C(=O)C(CN)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(16-11-9-14(2)10-12-16)18(21)17(13-19)15-7-5-4-6-8-15/h4-12,17H,3,13,19H2,1-2H3
InChIKeyQZKXAHWAYYEIHL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide

3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide (PubChem CID 62876984) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
PubChem CID62876984
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
SMILESCCN(C(=O)C(CN)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(16-11-9-14(2)10-12-16)18(21)17(13-19)15-7-5-4-6-8-15/h4-12,17H,3,13,19H2,1-2H3
InChIKeyQZKXAHWAYYEIHL-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
CID 62877338
N-ethyl-2-hydroxy-2-(4-methylphenyl)-N-phenylacetamide
CID 82134297
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
CID 80543945
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
N-ethyl-2-methylsulfanyl-N,2-diphenylacetamide
CID 101243744
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
CID 62876632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide (CID 62876984) is 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide is CCN(C(=O)C(CN)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide?
The InChIKey is QZKXAHWAYYEIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(16-11-9-14(2)10-12-16)18(21)17(13-19)15-7-5-4-6-8-15/h4-12,17H,3,13,19H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide?
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide is sourced from PubChem (CID 62876984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).