2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide

C9H16N4O — CID 62139157

IUPAC2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
SMILESCCn1ccnc1NC(C)(C)C(N)=O
InChIInChI=1S/C9H16N4O/c1-4-13-6-5-11-8(13)12-9(2,3)7(10)14/h5-6H,4H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyHOWRPRFJWPERFR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds4

About 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide

2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide (PubChem CID 62139157) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
PubChem CID62139157
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
SMILESCCn1ccnc1NC(C)(C)C(N)=O
InChIInChI=1S/C9H16N4O/c1-4-13-6-5-11-8(13)12-9(2,3)7(10)14/h5-6H,4H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyHOWRPRFJWPERFR-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
2-amino-N-(1-ethylimidazol-2-yl)butanamide
CID 131165493
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115360823
1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
CID 106251952
2-methyl-2-[(3-methylpyrazin-2-yl)amino]propanamide
CID 83064563
N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide (CID 62139157) is 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide is CCn1ccnc1NC(C)(C)C(N)=O.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide?
The InChIKey is HOWRPRFJWPERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-13-6-5-11-8(13)12-9(2,3)7(10)14/h5-6H,4H2,1-3H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide?
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 62139157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).