2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide

C19H24N2O2 — CID 24761709

IUPAC2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13,20H2,1-2H3/t14-,17?,18+/m0/s1
InChIKeyPCLQLSXWUMPBCA-HXFVUSARSA-N
MW312.41 g/mol
LogP2.14
Rot. Bonds6

About 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide

2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (PubChem CID 24761709) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
PubChem CID24761709
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13,20H2,1-2H3/t14-,17?,18+/m0/s1
InChIKeyPCLQLSXWUMPBCA-HXFVUSARSA-N
XLogP2.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (CID 24761709) is 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is PCLQLSXWUMPBCA-HXFVUSARSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13,20H2,1-2H3/t14-,17?,18+/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 24761709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).