(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide

C15H24N2O3 — CID 104984805

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
SMILESCOCCN(CCO)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-20-12-10-17(9-11-18)15(19)14(16)8-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12,16H2,1H3/t14-/m0/s1
InChIKeyPVTZJNBRQWGMPT-AWEZNQCLSA-N
MW280.37 g/mol
LogP0.41
Rot. Bonds9

About (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide

(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide (PubChem CID 104984805) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
PubChem CID104984805
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
SMILESCOCCN(CCO)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-20-12-10-17(9-11-18)15(19)14(16)8-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12,16H2,1H3/t14-/m0/s1
InChIKeyPVTZJNBRQWGMPT-AWEZNQCLSA-N
XLogP0.41
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 104861606
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
(2R)-2,5-diamino-N-(2-hydroxyethyl)-N-(2-phenylethyl)pentanamide
CID 57272495
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylpentanamide
CID 104904000
2-amino-N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 62473961

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide (CID 104984805) is (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide is COCCN(CCO)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide?
The InChIKey is PVTZJNBRQWGMPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-20-12-10-17(9-11-18)15(19)14(16)8-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 0.41, 9 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)-4-phenylbutanamide is sourced from PubChem (CID 104984805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).