(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide

C23H25NO3 — CID 101263292

IUPAC(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide
SMILESCO[C@](C)(C(=O)N[C@H](CO)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H25NO3/c1-23(27-2,21-14-8-12-18-11-6-7-13-20(18)21)22(26)24-19(16-25)15-17-9-4-3-5-10-17/h3-14,19,25H,15-16H2,1-2H3,(H,24,26)/t19-,23-/m0/s1
InChIKeyQMJUXAHCJVOHLS-CVDCTZTESA-N
MW363.46 g/mol
LogP3.42
Rot. Bonds7

About (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide

(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide (PubChem CID 101263292) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide
PubChem CID101263292
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide
SMILESCO[C@](C)(C(=O)N[C@H](CO)Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H25NO3/c1-23(27-2,21-14-8-12-18-11-6-7-13-20(18)21)22(26)24-19(16-25)15-17-9-4-3-5-10-17/h3-14,19,25H,15-16H2,1-2H3,(H,24,26)/t19-,23-/m0/s1
InChIKeyQMJUXAHCJVOHLS-CVDCTZTESA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide
CID 101161983
2-(2-fluorophenyl)-N-[1-hydroxy-3-(1-methylpyrazol-4-yl)propan-2-yl]-2-methoxypropanamide
CID 126827780
2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 107861005
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 109387993
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide (CID 101263292) is (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide is CO[C@](C)(C(=O)N[C@H](CO)Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide?
The InChIKey is QMJUXAHCJVOHLS-CVDCTZTESA-N. The full InChI is InChI=1S/C23H25NO3/c1-23(27-2,21-14-8-12-18-11-6-7-13-20(18)21)22(26)24-19(16-25)15-17-9-4-3-5-10-17/h3-14,19,25H,15-16H2,1-2H3,(H,24,26)/t19-,23-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide?
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide has a molecular weight of 363.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide is sourced from PubChem (CID 101263292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).