N-(2-hydroxy-1-phenylethyl)butanamide

C12H17NO2 — CID 63184192

IUPACN-(2-hydroxy-1-phenylethyl)butanamide
SMILESCCCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-6-12(15)13-11(9-14)10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9H2,1H3,(H,13,15)
InChIKeyKEAGACPRJPTLDM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.64
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)butanamide

N-(2-hydroxy-1-phenylethyl)butanamide (PubChem CID 63184192) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)butanamide
PubChem CID63184192
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)butanamide
SMILESCCCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-6-12(15)13-11(9-14)10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9H2,1H3,(H,13,15)
InChIKeyKEAGACPRJPTLDM-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
N-(3-amino-3-oxo-1-phenylpropyl)butanamide
CID 44600497
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide
CID 107862900
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
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]pent-4-enamide
CID 67310926
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)butanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)butanamide (CID 63184192) is N-(2-hydroxy-1-phenylethyl)butanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)butanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)butanamide is CCCC(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)butanamide?
The InChIKey is KEAGACPRJPTLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-6-12(15)13-11(9-14)10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxy-1-phenylethyl)butanamide?
N-(2-hydroxy-1-phenylethyl)butanamide has a molecular weight of 207.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)butanamide is sourced from PubChem (CID 63184192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).