2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide

C18H21NO3 — CID 10424832

IUPAC2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCN(CCc1ccccc1)C(=O)C(O)C(O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3
InChIKeyNCIQCBQQKSZYHT-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.78
Rot. Bonds6

About 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide

2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 10424832) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID10424832
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCN(CCc1ccccc1)C(=O)C(O)C(O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3
InChIKeyNCIQCBQQKSZYHT-UHFFFAOYSA-N
XLogP1.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-Clausenamide
CID 5315946
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
Secodemethylclausenamide
CID 70378439
2-[(2-Hydroxy-2-phenylethyl)-(3-propan-2-yloxypropyl)amino]-1-phenylethanol;oxalic acid
CID 15945328
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761709
2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethanol
CID 10900597
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518
(+)Neoclausenamide
CID 10149519
(-)-Epi-Clausenamide
CID 10149520

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide (CID 10424832) is 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide is CN(CCc1ccccc1)C(=O)C(O)C(O)c1ccccc1.
What is the InChIKey of 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is NCIQCBQQKSZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3.
What are the key properties of 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide?
2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 10424832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).