2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide

C14H24N4O — CID 63918740

IUPAC2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCc1ncn(CC(NC(C)C)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C14H24N4O/c1-9(2)17-14(13(15)19,12-5-6-12)7-18-8-16-10(3)11(18)4/h8-9,12,17H,5-7H2,1-4H3,(H2,15,19)
InChIKeyYAEVYVKSQIGMLW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.13
Rot. Bonds6

About 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide (PubChem CID 63918740) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide
PubChem CID63918740
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCc1ncn(CC(NC(C)C)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C14H24N4O/c1-9(2)17-14(13(15)19,12-5-6-12)7-18-8-16-10(3)11(18)4/h8-9,12,17H,5-7H2,1-4H3,(H2,15,19)
InChIKeyYAEVYVKSQIGMLW-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide (CID 63918740) is 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide is Cc1ncn(CC(NC(C)C)(C(N)=O)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
The InChIKey is YAEVYVKSQIGMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)17-14(13(15)19,12-5-6-12)7-18-8-16-10(3)11(18)4/h8-9,12,17H,5-7H2,1-4H3,(H2,15,19).
What are the key properties of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63918740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).