(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide

C18H23NO3 — CID 97227615

IUPAC(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
SMILESCCO[C@H](CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3/c1-3-17(22-4-2)18(21)19-12-16(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,20H,3-4,12H2,1-2H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyRPGOSDWEKCBPJI-IAGOWNOFSA-N
MW301.39 g/mol
LogP2.80
Rot. Bonds7

About (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide

(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide (PubChem CID 97227615) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
PubChem CID97227615
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
SMILESCCO[C@H](CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3/c1-3-17(22-4-2)18(21)19-12-16(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,20H,3-4,12H2,1-2H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyRPGOSDWEKCBPJI-IAGOWNOFSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide 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

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide?
The IUPAC name of (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide (CID 97227615) is (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide is CCO[C@H](CC)C(=O)NC[C@@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide?
The InChIKey is RPGOSDWEKCBPJI-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-17(22-4-2)18(21)19-12-16(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,20H,3-4,12H2,1-2H3,(H,19,21)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide?
(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide is sourced from PubChem (CID 97227615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).