(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide

C16H24N2O2 — CID 70458040

IUPAC(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide
SMILESCC(=O)N([C@@H](C)C(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12(18(13(2)19)16(3,4)5)15(20)17-11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3,(H,17,20)/t12-/m0/s1
InChIKeyAOHJYBKUQCZJKO-LBPRGKRZSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds4

About (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide

(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide (PubChem CID 70458040) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide.

Molecular Properties

Compound Name(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide
PubChem CID70458040
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide
SMILESCC(=O)N([C@@H](C)C(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12(18(13(2)19)16(3,4)5)15(20)17-11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3,(H,17,20)/t12-/m0/s1
InChIKeyAOHJYBKUQCZJKO-LBPRGKRZSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 53427567
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-[(2S)-1-[[(E,3S)-6-(benzylamino)-6-oxo-1-phenylhex-4-en-3-yl]amino]-1-oxopropan-2-yl]-N-tert-butylcarbamate
CID 86666400
(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
CID 53364150
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
[(2R)-1-(benzylamino)-3-(difluoromethoxy)-1-oxopropan-2-yl]-tert-butylcarbamic acid
CID 23648565
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide?
The IUPAC name of (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide (CID 70458040) is (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide.
What is the SMILES notation for (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide?
The canonical SMILES for (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide is CC(=O)N([C@@H](C)C(=O)NCc1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide?
The InChIKey is AOHJYBKUQCZJKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(18(13(2)19)16(3,4)5)15(20)17-11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide?
(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide is sourced from PubChem (CID 70458040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).