N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide

C18H21NO2 — CID 102673740

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)12-18(21)19-17(13-20)11-15-8-3-2-4-9-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyAZXHAKXFGNTWQD-KRWDZBQOSA-N
MW283.37 g/mol
LogP2.26
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide (PubChem CID 102673740) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
PubChem CID102673740
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)12-18(21)19-17(13-20)11-15-8-3-2-4-9-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyAZXHAKXFGNTWQD-KRWDZBQOSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 109387993
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
CID 99780548
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
CID 118197578
2-(2,5-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 124846044
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide (CID 102673740) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is AZXHAKXFGNTWQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)12-18(21)19-17(13-20)11-15-8-3-2-4-9-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 102673740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).