(2S)-2-(2,6-dimethylanilino)propanamide

C11H16N2O — CID 89462597

IUPAC(2S)-2-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1N[C@@H](C)C(N)=O
InChIInChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-9(3)11(12)14/h4-6,9,13H,1-3H3,(H2,12,14)/t9-/m0/s1
InChIKeyYAGMCRVQQUBRGQ-VIFPVBQESA-N
MW192.26 g/mol
LogP1.59
Rot. Bonds3

About (2S)-2-(2,6-dimethylanilino)propanamide

(2S)-2-(2,6-dimethylanilino)propanamide (PubChem CID 89462597) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-2-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,6-dimethylanilino)propanamide
PubChem CID89462597
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-2-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1N[C@@H](C)C(N)=O
InChIInChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-9(3)11(12)14/h4-6,9,13H,1-3H3,(H2,12,14)/t9-/m0/s1
InChIKeyYAGMCRVQQUBRGQ-VIFPVBQESA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-methylanilino)propanamide
CID 66252713
2,2,2-trichloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 54313943
(2-methoxyacetyl) (2R)-2-(2,6-dimethylanilino)propanoate
CID 139835218
3-[[(2S)-2-(2,6-dimethylanilino)propanoyl]amino]cyclobutane-1-carboxylic acid
CID 126433711
ethyl 2-(2-carbamothioyl-6-methylanilino)propanoate
CID 107108016
2-aminoacetic acid;2-chloroethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70566463
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
3-(2,6-dimethylanilino)butanethioamide
CID 82080364
(2R)-2-[[6-(2,6-dimethylphenoxy)-3-pyridinyl]amino]propanamide
CID 67235320
(2S)-2-[(8-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanamide
CID 54292721
2-(2,3-difluoroanilino)propanamide
CID 61075391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dimethylanilino)propanamide?
The IUPAC name of (2S)-2-(2,6-dimethylanilino)propanamide (CID 89462597) is (2S)-2-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for (2S)-2-(2,6-dimethylanilino)propanamide?
The canonical SMILES for (2S)-2-(2,6-dimethylanilino)propanamide is Cc1cccc(C)c1N[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(2,6-dimethylanilino)propanamide?
The InChIKey is YAGMCRVQQUBRGQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-9(3)11(12)14/h4-6,9,13H,1-3H3,(H2,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,6-dimethylanilino)propanamide?
(2S)-2-(2,6-dimethylanilino)propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 89462597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).