(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide

C15H23N3O2 — CID 35994885

IUPAC(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
SMILESCC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(14(20)18-15(3,4)5)16-12-6-8-13(9-7-12)17-11(2)19/h6-10,16H,1-5H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyQREKKZPAKICCPF-JTQLQIEISA-N
MW277.37 g/mol
LogP2.36
Rot. Bonds4

About (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide

(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide (PubChem CID 35994885) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
PubChem CID35994885
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
SMILESCC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(14(20)18-15(3,4)5)16-12-6-8-13(9-7-12)17-11(2)19/h6-10,16H,1-5H3,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyQREKKZPAKICCPF-JTQLQIEISA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 42950126
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
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide?
The IUPAC name of (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide (CID 35994885) is (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide.
What is the SMILES notation for (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide?
The canonical SMILES for (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide is CC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide?
The InChIKey is QREKKZPAKICCPF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(14(20)18-15(3,4)5)16-12-6-8-13(9-7-12)17-11(2)19/h6-10,16H,1-5H3,(H,17,19)(H,18,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide?
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide is sourced from PubChem (CID 35994885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).