(2S)-2-anilino-N-tert-butylpropanamide

C13H20N2O — CID 28840351

IUPAC(2S)-2-anilino-N-tert-butylpropanamide
SMILESC[C@H](Nc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-10(12(16)15-13(2,3)4)14-11-8-6-5-7-9-11/h5-10,14H,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyBGGMSYHMTBRVQG-JTQLQIEISA-N
MW220.32 g/mol
LogP2.40
Rot. Bonds3

About (2S)-2-anilino-N-tert-butylpropanamide

(2S)-2-anilino-N-tert-butylpropanamide (PubChem CID 28840351) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-anilino-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2S)-2-anilino-N-tert-butylpropanamide
PubChem CID28840351
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-anilino-N-tert-butylpropanamide
SMILESC[C@H](Nc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-10(12(16)15-13(2,3)4)14-11-8-6-5-7-9-11/h5-10,14H,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyBGGMSYHMTBRVQG-JTQLQIEISA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
2-anilinopropanoic acid;hydrochloride
CID 19096756
N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 42950126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-N-tert-butylpropanamide?
The IUPAC name of (2S)-2-anilino-N-tert-butylpropanamide (CID 28840351) is (2S)-2-anilino-N-tert-butylpropanamide.
What is the SMILES notation for (2S)-2-anilino-N-tert-butylpropanamide?
The canonical SMILES for (2S)-2-anilino-N-tert-butylpropanamide is C[C@H](Nc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-anilino-N-tert-butylpropanamide?
The InChIKey is BGGMSYHMTBRVQG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(12(16)15-13(2,3)4)14-11-8-6-5-7-9-11/h5-10,14H,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-anilino-N-tert-butylpropanamide?
(2S)-2-anilino-N-tert-butylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-N-tert-butylpropanamide is sourced from PubChem (CID 28840351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).