4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide

C13H20N2O2 — CID 81080405

IUPAC4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(8-14)7-13(17)15-12(9-16)11-5-3-2-4-6-11/h2-6,10,12,16H,7-9,14H2,1H3,(H,15,17)
InChIKeyNYVKZGFYYOSERE-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.82
Rot. Bonds6

About 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide

4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide (PubChem CID 81080405) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
PubChem CID81080405
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(8-14)7-13(17)15-12(9-16)11-5-3-2-4-6-11/h2-6,10,12,16H,7-9,14H2,1H3,(H,15,17)
InChIKeyNYVKZGFYYOSERE-UHFFFAOYSA-N
XLogP0.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107861946
6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
CID 107863213
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide (CID 81080405) is 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide is CC(CN)CC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide?
The InChIKey is NYVKZGFYYOSERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(8-14)7-13(17)15-12(9-16)11-5-3-2-4-6-11/h2-6,10,12,16H,7-9,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide?
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide is sourced from PubChem (CID 81080405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).