2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide

C10H18N4O — CID 165475254

IUPAC2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
SMILESCCNC(C(N)=O)C(C)n1ccnc1C
InChIInChI=1S/C10H18N4O/c1-4-12-9(10(11)15)7(2)14-6-5-13-8(14)3/h5-7,9,12H,4H2,1-3H3,(H2,11,15)
InChIKeyRDJZZHBRVQCCHI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.22
Rot. Bonds5

About 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide

2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide (PubChem CID 165475254) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound Name2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
PubChem CID165475254
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
SMILESCCNC(C(N)=O)C(C)n1ccnc1C
InChIInChI=1S/C10H18N4O/c1-4-12-9(10(11)15)7(2)14-6-5-13-8(14)3/h5-7,9,12H,4H2,1-3H3,(H2,11,15)
InChIKeyRDJZZHBRVQCCHI-UHFFFAOYSA-N
XLogP0.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylimidazol-1-yl)-2-(ethylamino)butanamide
CID 165495243
2-(ethylamino)-3-(2-ethylimidazol-1-yl)butanoic acid
CID 165495562
2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide
CID 79404599
3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
CID 62446670
N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
CID 79409202
1-(2-methylimidazol-1-yl)propan-1-amine
CID 18183771
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829
ethyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801216
4-(2-methylimidazol-1-yl)pentanoic acid
CID 62214885
3-(2-methylimidazol-1-yl)hexan-2-one
CID 139677914

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide (CID 165475254) is 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide is CCNC(C(N)=O)C(C)n1ccnc1C.
What is the InChIKey of 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide?
The InChIKey is RDJZZHBRVQCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-12-9(10(11)15)7(2)14-6-5-13-8(14)3/h5-7,9,12H,4H2,1-3H3,(H2,11,15).
What are the key properties of 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide?
2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 165475254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).