N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide

C18H21NO2 — CID 54856748

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(18(21)16-11-7-4-8-12-16)19(2)17(20)13-15-9-5-3-6-10-15/h3-12,14,18,21H,13H2,1-2H3
InChIKeyDYCLVCOVNNPANH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.81
Rot. Bonds5

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide (PubChem CID 54856748) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
PubChem CID54856748
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(18(21)16-11-7-4-8-12-16)19(2)17(20)13-15-9-5-3-6-10-15/h3-12,14,18,21H,13H2,1-2H3
InChIKeyDYCLVCOVNNPANH-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
2-(3,4-dimethoxy-5-methylphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 122595148
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
2-[benzyl(prop-2-enyl)amino]-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24938979
(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11370953
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(3,4,5-trimethoxyphenyl)butanamide;methane
CID 158910515
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide (CID 54856748) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide is CC(C(O)c1ccccc1)N(C)C(=O)Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide?
The InChIKey is DYCLVCOVNNPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(18(21)16-11-7-4-8-12-16)19(2)17(20)13-15-9-5-3-6-10-15/h3-12,14,18,21H,13H2,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide has a molecular weight of 283.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 54856748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).