(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide

C18H22N2O2 — CID 94824467

IUPAC(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-16(20-15-11-7-4-8-12-15)18(22)19-13-17(21)14-9-5-3-6-10-14/h3-12,16-17,20-21H,2,13H2,1H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyQLXBQLIFLPXQQO-SJORKVTESA-N
MW298.39 g/mol
LogP2.73
Rot. Bonds7

About (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide

(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide (PubChem CID 94824467) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide
PubChem CID94824467
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-16(20-15-11-7-4-8-12-15)18(22)19-13-17(21)14-9-5-3-6-10-14/h3-12,16-17,20-21H,2,13H2,1H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyQLXBQLIFLPXQQO-SJORKVTESA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
methyl (2R)-2-anilinobutanoate
CID 51891380
2-anilino-N,N-dimethylbutanamide
CID 137320686
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide?
The IUPAC name of (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide (CID 94824467) is (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide.
What is the SMILES notation for (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide?
The canonical SMILES for (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide is CC[C@@H](Nc1ccccc1)C(=O)NC[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide?
The InChIKey is QLXBQLIFLPXQQO-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-16(20-15-11-7-4-8-12-15)18(22)19-13-17(21)14-9-5-3-6-10-14/h3-12,16-17,20-21H,2,13H2,1H3,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide?
(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide has a molecular weight of 298.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide is sourced from PubChem (CID 94824467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).