2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide

C11H18N4O — CID 63920086

IUPAC2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
SMILESCCNC(Cn1ccnc1)(C(N)=O)C1CC1
InChIInChI=1S/C11H18N4O/c1-2-14-11(10(12)16,9-3-4-9)7-15-6-5-13-8-15/h5-6,8-9,14H,2-4,7H2,1H3,(H2,12,16)
InChIKeySGIOASLBRUTWDD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.13
Rot. Bonds6

About 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide

2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide (PubChem CID 63920086) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
PubChem CID63920086
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
SMILESCCNC(Cn1ccnc1)(C(N)=O)C1CC1
InChIInChI=1S/C11H18N4O/c1-2-14-11(10(12)16,9-3-4-9)7-15-6-5-13-8-15/h5-6,8-9,14H,2-4,7H2,1H3,(H2,12,16)
InChIKeySGIOASLBRUTWDD-UHFFFAOYSA-N
XLogP0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-imidazol-1-yl-2-(propylamino)propanamide
CID 63919890
2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
CID 63919889
2-cyclopropyl-2-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propanamide
CID 83221428
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)propanamide
CID 63925013
2-cyclopropyl-3-(2-ethylimidazol-1-yl)-2-(propylamino)propanamide
CID 63919908
2-cyclopropyl-3-[cyclopropyl(ethyl)amino]-2-(ethylamino)propanamide
CID 63911879
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propanamide
CID 81475312
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 82753521
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide (CID 63920086) is 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide is CCNC(Cn1ccnc1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide?
The InChIKey is SGIOASLBRUTWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-14-11(10(12)16,9-3-4-9)7-15-6-5-13-8-15/h5-6,8-9,14H,2-4,7H2,1H3,(H2,12,16).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide?
2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 63920086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).