(2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide

C12H21N3O2 — CID 29211211

IUPAC(2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide
SMILESCCn1ccnc1CNC(=O)[C@@H](O)CC(C)C
InChIInChI=1S/C12H21N3O2/c1-4-15-6-5-13-11(15)8-14-12(17)10(16)7-9(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeySSTFTHJYIBNQRX-JTQLQIEISA-N
MW239.32 g/mol
LogP0.93
Rot. Bonds6

About (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide

(2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide (PubChem CID 29211211) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide
PubChem CID29211211
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide
SMILESCCn1ccnc1CNC(=O)[C@@H](O)CC(C)C
InChIInChI=1S/C12H21N3O2/c1-4-15-6-5-13-11(15)8-14-12(17)10(16)7-9(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeySSTFTHJYIBNQRX-JTQLQIEISA-N
XLogP0.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,4-dihydroxy-N-[3-(3-imidazol-1-ylpropylamino)-3-oxopropyl]-3,3-dimethylbutanamide
CID 90682454
(2S)-1-{4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-1-oxo-2-propanol
CID 70732420
(2R)-1-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-1-oxo-2-propanol
CID 72890666
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-methoxybutanamide
CID 91761842
cis-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-4-hydroxycyclohexanecarboxamide
CID 91777093
cis-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-hydroxycyclohexanecarboxamide
CID 91783565
2-hydroxy-4-(methylthio)-N-[(1-propyl-1H-imidazol-2-yl)methyl]butanamide
CID 91784851
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623
cis-3-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91788745
cis-4-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91790764
N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 91796843
(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95554744

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide (CID 29211211) is (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide is CCn1ccnc1CNC(=O)[C@@H](O)CC(C)C.
What is the InChIKey of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide?
The InChIKey is SSTFTHJYIBNQRX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-6-5-13-11(15)8-14-12(17)10(16)7-9(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide?
(2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethylimidazol-2-yl)methyl]-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 29211211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).