(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide

C14H22N2O3 — CID 104861606

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCN(CCO)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-10-8-16(7-9-17)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13,17H,7-11,15H2,1H3/t13-/m0/s1
InChIKeyREGUGUPUFCUFBN-ZDUSSCGKSA-N
MW266.34 g/mol
LogP0.02
Rot. Bonds8

About (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide

(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 104861606) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID104861606
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCN(CCO)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-10-8-16(7-9-17)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13,17H,7-11,15H2,1H3/t13-/m0/s1
InChIKeyREGUGUPUFCUFBN-ZDUSSCGKSA-N
XLogP0.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
CID 104984805
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 103869710
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272186
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide (CID 104861606) is (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide is COCCN(CCO)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is REGUGUPUFCUFBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-10-8-16(7-9-17)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13,17H,7-11,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.02, 8 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-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 104861606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).