2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate

C16H23NO5 — CID 156622371

IUPAC2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C16H23NO5/c1-21-9-10-22-16(20)8-7-15(19)17-14(12-18)11-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,19)
InChIKeyMZWGHACOGIGFKG-UHFFFAOYSA-N
MW309.36 g/mol
LogP0.68
Rot. Bonds10

About 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate

2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate (PubChem CID 156622371) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate
PubChem CID156622371
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C16H23NO5/c1-21-9-10-22-16(20)8-7-15(19)17-14(12-18)11-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,19)
InChIKeyMZWGHACOGIGFKG-UHFFFAOYSA-N
XLogP0.68
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-methoxyethyl 4-[[1-[2-[2-(2-methylpropanoyloxy)propanoyloxy]propanoyloxy]-3-phenylpropan-2-yl]amino]-4-oxobutanoate
CID 157408186
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]ethyl pent-4-enoate
CID 6605307
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate (CID 156622371) is 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate is COCCOC(=O)CCC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate?
The InChIKey is MZWGHACOGIGFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-21-9-10-22-16(20)8-7-15(19)17-14(12-18)11-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,19).
What are the key properties of 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate?
2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate has a molecular weight of 309.36 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 156622371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).