2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide

C13H22N4O — CID 63921265

IUPAC2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCNC(Cn1ccnc1C(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H22N4O/c1-9(2)11-16-6-7-17(11)8-13(15-3,12(14)18)10-4-5-10/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,14,18)
InChIKeyWJRSNWGGSXVWAZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.86
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide

2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 63921265) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID63921265
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCNC(Cn1ccnc1C(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C13H22N4O/c1-9(2)11-16-6-7-17(11)8-13(15-3,12(14)18)10-4-5-10/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,14,18)
InChIKeyWJRSNWGGSXVWAZ-UHFFFAOYSA-N
XLogP0.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921658
ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 63918712
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide
CID 63919496
2-cyclopropyl-3-(2-ethylimidazol-1-yl)-2-(propylamino)propanamide
CID 63919908
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
CID 64810048
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
CID 63907936
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 63053675
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide
CID 63918932
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 63915925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 63921265) is 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide is CNC(Cn1ccnc1C(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is WJRSNWGGSXVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)11-16-6-7-17(11)8-13(15-3,12(14)18)10-4-5-10/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,14,18).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 63921265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).