N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide

C13H20N2O2 — CID 63183611

IUPACN-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-14-9-5-8-13(17)15-12(10-16)11-6-3-2-4-7-11/h2-4,6-7,12,14,16H,5,8-10H2,1H3,(H,15,17)
InChIKeyGBGLIAWTWPNXRP-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.84
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide

N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide (PubChem CID 63183611) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
PubChem CID63183611
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-14-9-5-8-13(17)15-12(10-16)11-6-3-2-4-7-11/h2-4,6-7,12,14,16H,5,8-10H2,1H3,(H,15,17)
InChIKeyGBGLIAWTWPNXRP-UHFFFAOYSA-N
XLogP0.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
CID 119805754
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide (CID 63183611) is N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide is CNCCCC(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide?
The InChIKey is GBGLIAWTWPNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-9-5-8-13(17)15-12(10-16)11-6-3-2-4-7-11/h2-4,6-7,12,14,16H,5,8-10H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide?
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide has a molecular weight of 236.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 63183611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).