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

C13H22N4O — CID 63921488

IUPAC2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide
SMILESCCNC(Cn1cnc(C)c1C)(C(N)=O)C1CC1
InChIInChI=1S/C13H22N4O/c1-4-16-13(12(14)18,11-5-6-11)7-17-8-15-9(2)10(17)3/h8,11,16H,4-7H2,1-3H3,(H2,14,18)
InChIKeyHCFFNBHLSXHKMC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.74
Rot. Bonds6

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

2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide (PubChem CID 63921488) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide
PubChem CID63921488
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide
SMILESCCNC(Cn1cnc(C)c1C)(C(N)=O)C1CC1
InChIInChI=1S/C13H22N4O/c1-4-16-13(12(14)18,11-5-6-11)7-17-8-15-9(2)10(17)3/h8,11,16H,4-7H2,1-3H3,(H2,14,18)
InChIKeyHCFFNBHLSXHKMC-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
1-t-Butylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224503
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide
CID 57255261
4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide
CID 57286965
2-(4,5-dimethylimidazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55064595
5-(4,5-Dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 55064787
3-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(propylamino)propanamide
CID 55064837
N,N,4-trimethyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]pentanamide
CID 55114208
N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethyl-1H-imidazol-1-yl)acetamide
CID 56789707
5-(4,5-Dimethylimidazol-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62349744
3-(4,5-dimethyl-1H-imidazol-1-yl)-2-[(propan-2-yl)amino]propanamide
CID 62349750
2-Amino-5-(4,5-dimethyl-1h-imidazol-1-yl)-2-methylpentanamide
CID 62349918

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide (CID 63921488) is 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide is CCNC(Cn1cnc(C)c1C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide?
The InChIKey is HCFFNBHLSXHKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-16-13(12(14)18,11-5-6-11)7-17-8-15-9(2)10(17)3/h8,11,16H,4-7H2,1-3H3,(H2,14,18).
What are the key properties of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide?
2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.74, 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-(ethylamino)propanamide is sourced from PubChem (CID 63921488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).