N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide

C18H22N2O — CID 2684031

IUPACN-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O/c1-13-9-10-17(11-14(13)2)20-18(21)12-19-15(3)16-7-5-4-6-8-16/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyMHZLZBBRHKBUGH-HNNXBMFYSA-N
MW282.39 g/mol
LogP3.59
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide

N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 2684031) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
PubChem CID2684031
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O/c1-13-9-10-17(11-14(13)2)20-18(21)12-19-15(3)16-7-5-4-6-8-16/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyMHZLZBBRHKBUGH-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

N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54815005
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 2684031) is N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide is Cc1ccc(NC(=O)CN[C@@H](C)c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is MHZLZBBRHKBUGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-9-10-17(11-14(13)2)20-18(21)12-19-15(3)16-7-5-4-6-8-16/h4-11,15,19H,12H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]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 N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 2684031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).