(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide

C13H19NO2 — CID 141196582

IUPAC(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
SMILESCOCCNC(=O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(13(15)14-8-9-16-2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCDHZLKVUVZOIBX-NSHDSACASA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide

(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide (PubChem CID 141196582) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
PubChem CID141196582
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
SMILESCOCCNC(=O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(13(15)14-8-9-16-2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCDHZLKVUVZOIBX-NSHDSACASA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-(3-methoxypropylcarbamoylamino)-3-phenylpropanoic acid
CID 2001021
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide (CID 141196582) is (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide is COCCNC(=O)[C@@H](C)Cc1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide?
The InChIKey is CDHZLKVUVZOIBX-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(13(15)14-8-9-16-2)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide?
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 141196582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).