(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide

C16H18N2O — CID 25348784

IUPAC(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
SMILESCc1cc(C)cc(N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-11-8-12(2)10-14(9-11)18-15(16(17)19)13-6-4-3-5-7-13/h3-10,15,18H,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyXKTCIERSNPKNCK-HNNXBMFYSA-N
MW254.33 g/mol
LogP2.94
Rot. Bonds4

About (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide

(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide (PubChem CID 25348784) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
PubChem CID25348784
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
SMILESCc1cc(C)cc(N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-11-8-12(2)10-14(9-11)18-15(16(17)19)13-6-4-3-5-7-13/h3-10,15,18H,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyXKTCIERSNPKNCK-HNNXBMFYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-phenylacetamide;ethane
CID 142824395
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide
CID 95623687
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide?
The IUPAC name of (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide (CID 25348784) is (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide is Cc1cc(C)cc(N[C@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide?
The InChIKey is XKTCIERSNPKNCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-8-12(2)10-14(9-11)18-15(16(17)19)13-6-4-3-5-7-13/h3-10,15,18H,1-2H3,(H2,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide?
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide has a molecular weight of 254.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylanilino)-2-phenylacetamide is sourced from PubChem (CID 25348784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).