2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C14H21NO3 — CID 110001669

IUPAC2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESCCC(C)OCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-11(2)18-10-14(17)15-13(9-16)12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,15,17)/t11?,13-/m1/s1
InChIKeyHCBBPZZMQQXHKF-GLGOKHISSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds7

About 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 110001669) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID110001669
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESCCC(C)OCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-11(2)18-10-14(17)15-13(9-16)12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,15,17)/t11?,13-/m1/s1
InChIKeyHCBBPZZMQQXHKF-GLGOKHISSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945081
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107861749
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351
6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
CID 107863213

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 110001669) is 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is CCC(C)OCC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is HCBBPZZMQQXHKF-GLGOKHISSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-11(2)18-10-14(17)15-13(9-16)12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,15,17)/t11?,13-/m1/s1.
What are the key properties of 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 110001669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).