N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide

C9H15N3O2 — CID 174552130

IUPACN-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC(C)(C)O)n1ccnc1
InChIInChI=1S/C9H15N3O2/c1-7(12-5-4-10-6-12)8(13)11-9(2,3)14/h4-7,14H,1-3H3,(H,11,13)
InChIKeySFOXSJHOSYATCT-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.29
Rot. Bonds3

About N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide

N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide (PubChem CID 174552130) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
PubChem CID174552130
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC(C)(C)O)n1ccnc1
InChIInChI=1S/C9H15N3O2/c1-7(12-5-4-10-6-12)8(13)11-9(2,3)14/h4-7,14H,1-3H3,(H,11,13)
InChIKeySFOXSJHOSYATCT-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
CID 60704182
2-imidazol-1-ylpropanoic acid
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N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
carbonic acid;1-propan-2-ylimidazole
CID 175084414
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 47284474
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 49052603
(2R)-N-ethyl-2-imidazol-1-yl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 94456522

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide?
The IUPAC name of N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide (CID 174552130) is N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide is CC(C(=O)NC(C)(C)O)n1ccnc1.
What is the InChIKey of N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide?
The InChIKey is SFOXSJHOSYATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(12-5-4-10-6-12)8(13)11-9(2,3)14/h4-7,14H,1-3H3,(H,11,13).
What are the key properties of N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide?
N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide has a molecular weight of 197.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 174552130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).