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

C14H22N2O2 — CID 79812629

IUPAC2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
SMILESCCC(N)(CC)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-14(15,4-2)13(18)16-12(10-17)11-8-6-5-7-9-11/h5-9,12,17H,3-4,10,15H2,1-2H3,(H,16,18)
InChIKeyJWCOBKCLEDNRLD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds6

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

2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide (PubChem CID 79812629) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
PubChem CID79812629
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
SMILESCCC(N)(CC)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-14(15,4-2)13(18)16-12(10-17)11-8-6-5-7-9-11/h5-9,12,17H,3-4,10,15H2,1-2H3,(H,16,18)
InChIKeyJWCOBKCLEDNRLD-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-2,5,5-trimethyl-2-phenylhexanamide
CID 25259507
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide (CID 79812629) is 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide is CCC(N)(CC)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide?
The InChIKey is JWCOBKCLEDNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(15,4-2)13(18)16-12(10-17)11-8-6-5-7-9-11/h5-9,12,17H,3-4,10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide?
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide is sourced from PubChem (CID 79812629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).