(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide

C17H23N3O — CID 95617382

IUPAC(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide
SMILESCC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](C)n1ccnc1
InChIInChI=1S/C17H23N3O/c1-4-14(2)20(12-16-8-6-5-7-9-16)17(21)15(3)19-11-10-18-13-19/h5-11,13-15H,4,12H2,1-3H3/t14-,15+/m1/s1
InChIKeyPSHDCECYOFEYCR-CABCVRRESA-N
MW285.39 g/mol
LogP3.27
Rot. Bonds6

About (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide

(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide (PubChem CID 95617382) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide
PubChem CID95617382
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide
SMILESCC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](C)n1ccnc1
InChIInChI=1S/C17H23N3O/c1-4-14(2)20(12-16-8-6-5-7-9-16)17(21)15(3)19-11-10-18-13-19/h5-11,13-15H,4,12H2,1-3H3/t14-,15+/m1/s1
InChIKeyPSHDCECYOFEYCR-CABCVRRESA-N
XLogP3.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-yl-2-pyrazol-1-ylpropanamide
CID 134048564
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
(2R)-2-imidazol-1-yl-N-(2-methoxyethyl)-N-(3-phenylpropyl)propanamide
CID 95235203
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
(2R)-2-imidazol-1-yl-N-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 51591899
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 56788413
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
CID 119688833
(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 126447800

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide (CID 95617382) is (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide is CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](C)n1ccnc1.
What is the InChIKey of (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is PSHDCECYOFEYCR-CABCVRRESA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-14(2)20(12-16-8-6-5-7-9-16)17(21)15(3)19-11-10-18-13-19/h5-11,13-15H,4,12H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide?
(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 95617382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).