(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide

C18H22N2O2 — CID 75513593

IUPAC(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCCOc1ccc(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-22-16-11-9-15(10-12-16)20(2)18(21)17(19)13-14-7-5-4-6-8-14/h4-12,17H,3,13,19H2,1-2H3/t17-/m0/s1
InChIKeyVHVMSUWDIOYCQZ-KRWDZBQOSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds6

About (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide (PubChem CID 75513593) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
PubChem CID75513593
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCCOc1ccc(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-22-16-11-9-15(10-12-16)20(2)18(21)17(19)13-14-7-5-4-6-8-14/h4-12,17H,3,13,19H2,1-2H3/t17-/m0/s1
InChIKeyVHVMSUWDIOYCQZ-KRWDZBQOSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116849927
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
CID 14665
2-bromo-N-(4-ethoxyphenyl)-N-methyl-3-oxopropanamide
CID 19966500
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide (CID 75513593) is (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide is CCOc1ccc(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is VHVMSUWDIOYCQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-16-11-9-15(10-12-16)20(2)18(21)17(19)13-14-7-5-4-6-8-14/h4-12,17H,3,13,19H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 75513593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).