2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide

C13H20N4O — CID 63919496

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CC(NC1CC1)(C(N)=O)C1CC1
InChIInChI=1S/C13H20N4O/c1-9-15-6-7-17(9)8-13(12(14)18,10-2-3-10)16-11-4-5-11/h6-7,10-11,16H,2-5,8H2,1H3,(H2,14,18)
InChIKeyIOPURIUUCZNZCH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.58
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide

2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide (PubChem CID 63919496) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide
PubChem CID63919496
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1nccn1CC(NC1CC1)(C(N)=O)C1CC1
InChIInChI=1S/C13H20N4O/c1-9-15-6-7-17(9)8-13(12(14)18,10-2-3-10)16-11-4-5-11/h6-7,10-11,16H,2-5,8H2,1H3,(H2,14,18)
InChIKeyIOPURIUUCZNZCH-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-pyrazol-1-ylpropanamide
CID 63920489
2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921265
2-cyclopropyl-3-(2-ethylimidazol-1-yl)-2-(propylamino)propanamide
CID 63919908
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63920900
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 115561563
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 63911504
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 63917079
2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylphenoxy)propanamide
CID 63920781
2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)propanamide
CID 63909516
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide (CID 63919496) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide is Cc1nccn1CC(NC1CC1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide?
The InChIKey is IOPURIUUCZNZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-15-6-7-17(9)8-13(12(14)18,10-2-3-10)16-11-4-5-11/h6-7,10-11,16H,2-5,8H2,1H3,(H2,14,18).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 63919496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).