(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide

C15H24N2O4 — CID 61154746

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O4/c1-20-9-7-17(8-10-21-2)15(19)14(16)11-12-3-5-13(18)6-4-12/h3-6,14,18H,7-11,16H2,1-2H3/t14-/m0/s1
InChIKeyOALLZHNCGJZMTH-AWEZNQCLSA-N
MW296.37 g/mol
LogP0.38
Rot. Bonds9

About (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 61154746) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
PubChem CID61154746
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O4/c1-20-9-7-17(8-10-21-2)15(19)14(16)11-12-3-5-13(18)6-4-12/h3-6,14,18H,7-11,16H2,1-2H3/t14-/m0/s1
InChIKeyOALLZHNCGJZMTH-AWEZNQCLSA-N
XLogP0.38
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272186
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 103869710
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 104861606
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 104905112
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide (CID 61154746) is (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is OALLZHNCGJZMTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-20-9-7-17(8-10-21-2)15(19)14(16)11-12-3-5-13(18)6-4-12/h3-6,14,18H,7-11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 61154746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).