(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide

C17H20N2O3 — CID 22691240

IUPAC(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-21-13-8-9-15(16(11-13)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-9,11,14H,10,18H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUNQBSQWBESHHDI-AWEZNQCLSA-N
MW300.36 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide (PubChem CID 22691240) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
PubChem CID22691240
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C17H20N2O3/c1-21-13-8-9-15(16(11-13)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-9,11,14H,10,18H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyUNQBSQWBESHHDI-AWEZNQCLSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538504
(2R)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1058953
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871247
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide (CID 22691240) is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1.
What is the InChIKey of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide?
The InChIKey is UNQBSQWBESHHDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-13-8-9-15(16(11-13)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-9,11,14H,10,18H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 22691240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).