(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide

C15H24N2O2 — CID 61164790

IUPAC(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
SMILESCCN(C(=O)[C@@H](N)C(C)C)C(C)c1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-5-17(15(19)14(16)10(2)3)11(4)12-7-6-8-13(18)9-12/h6-11,14,18H,5,16H2,1-4H3/t11?,14-/m0/s1
InChIKeyVAAJPDLSBCXKHK-IAXJKZSUSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide

(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 61164790) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
PubChem CID61164790
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
SMILESCCN(C(=O)[C@@H](N)C(C)C)C(C)c1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-5-17(15(19)14(16)10(2)3)11(4)12-7-6-8-13(18)9-12/h6-11,14,18H,5,16H2,1-4H3/t11?,14-/m0/s1
InChIKeyVAAJPDLSBCXKHK-IAXJKZSUSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
4-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65359930
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103800325
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284
3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
CID 60609346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide (CID 61164790) is (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide is CCN(C(=O)[C@@H](N)C(C)C)C(C)c1cccc(O)c1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is VAAJPDLSBCXKHK-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(15(19)14(16)10(2)3)11(4)12-7-6-8-13(18)9-12/h6-11,14,18H,5,16H2,1-4H3/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide?
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 61164790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).