3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide

C11H20N4O — CID 106278377

IUPAC3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCn1ccnc1NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H20N4O/c1-5-15-7-6-13-10(15)14-8-11(2,3)9(16)12-4/h6-7H,5,8H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyOQZDLJZFOVLCFB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.09
Rot. Bonds5

About 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106278377) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106278377
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCn1ccnc1NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H20N4O/c1-5-15-7-6-13-10(15)14-8-11(2,3)9(16)12-4/h6-7H,5,8H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyOQZDLJZFOVLCFB-UHFFFAOYSA-N
XLogP1.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15065586
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1-(1-oxopropyl)-1H-imidazole
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1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
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(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
2,6-diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol
CID 135403641
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 9614329
2,2-dimethylpropyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127044791
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
N-heptyl-2-imidazol-1-yl-acetamide
CID 44139805
N-butyl-2-imidazol-1-yl-acetamide
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N-Hexyl-2-(1H-imidazol-1-yl)acetamide
CID 45269421

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide (CID 106278377) is 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide is CCn1ccnc1NCC(C)(C)C(=O)NC.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is OQZDLJZFOVLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-15-7-6-13-10(15)14-8-11(2,3)9(16)12-4/h6-7H,5,8H2,1-4H3,(H,12,16)(H,13,14).
What are the key properties of 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).