(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide

C20H25NO — CID 8714216

IUPAC(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-14(2)19(17-11-7-6-8-12-17)20(22)21-18-13-9-10-15(3)16(18)4/h6-14,19H,5H2,1-4H3,(H,21,22)/t14-,19+/m1/s1
InChIKeyVVESPXIWZCYHJN-KUHUBIRLSA-N
MW295.43 g/mol
LogP5.07
Rot. Bonds5

About (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide

(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide (PubChem CID 8714216) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
PubChem CID8714216
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-14(2)19(17-11-7-6-8-12-17)20(22)21-18-13-9-10-15(3)16(18)4/h6-14,19H,5H2,1-4H3,(H,21,22)/t14-,19+/m1/s1
InChIKeyVVESPXIWZCYHJN-KUHUBIRLSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide
CID 55396360
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
CID 25477648
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]sulfonylacetic acid
CID 82180446
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide (CID 8714216) is (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide is CC[C@@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide?
The InChIKey is VVESPXIWZCYHJN-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-14(2)19(17-11-7-6-8-12-17)20(22)21-18-13-9-10-15(3)16(18)4/h6-14,19H,5H2,1-4H3,(H,21,22)/t14-,19+/m1/s1.
What are the key properties of (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide?
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide has a molecular weight of 295.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 8714216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).