2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide

C18H22N2O — CID 9080783

IUPAC2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1cccc(NCC(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C18H22N2O/c1-13-8-7-11-17(14(13)2)19-12-18(21)20-15(3)16-9-5-4-6-10-16/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyYNOFQBPHUPAZFR-HNNXBMFYSA-N
MW282.39 g/mol
LogP3.59
Rot. Bonds5

About 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide

2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 9080783) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID9080783
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1cccc(NCC(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C18H22N2O/c1-13-8-7-11-17(14(13)2)19-12-18(21)20-15(3)16-9-5-4-6-10-16/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyYNOFQBPHUPAZFR-HNNXBMFYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
ethyl 2-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 108997359
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 22303955
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide (CID 9080783) is 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide is Cc1cccc(NCC(=O)N[C@@H](C)c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is YNOFQBPHUPAZFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-7-11-17(14(13)2)19-12-18(21)20-15(3)16-9-5-4-6-10-16/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide?
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 9080783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).