(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide

C15H24N2O3 — CID 104984250

IUPAC(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
SMILESCOCC(O)CN(C)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-17(10-13(18)11-20-2)15(19)14(16)9-8-12-6-4-3-5-7-12/h3-7,13-14,18H,8-11,16H2,1-2H3/t13?,14-/m0/s1
InChIKeyBRKJNWSRGDBTDI-KZUDCZAMSA-N
MW280.37 g/mol
LogP0.41
Rot. Bonds8

About (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide

(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide (PubChem CID 104984250) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
PubChem CID104984250
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
SMILESCOCC(O)CN(C)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-17(10-13(18)11-20-2)15(19)14(16)9-8-12-6-4-3-5-7-12/h3-7,13-14,18H,8-11,16H2,1-2H3/t13?,14-/m0/s1
InChIKeyBRKJNWSRGDBTDI-KZUDCZAMSA-N
XLogP0.41
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
CID 114925251
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
CID 104984805
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
CID 114928737
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide (CID 104984250) is (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide is COCC(O)CN(C)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide?
The InChIKey is BRKJNWSRGDBTDI-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(10-13(18)11-20-2)15(19)14(16)9-8-12-6-4-3-5-7-12/h3-7,13-14,18H,8-11,16H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide?
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 0.41, 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-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 104984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).