2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide

C13H24N4O — CID 56822577

IUPAC2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nccn1CC
InChIInChI=1S/C13H24N4O/c1-5-16(10-13(18)15-11(3)4)9-12-14-7-8-17(12)6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,18)
InChIKeyZVAFVJOAXLMFLQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.25
Rot. Bonds7

About 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 56822577) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID56822577
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nccn1CC
InChIInChI=1S/C13H24N4O/c1-5-16(10-13(18)15-11(3)4)9-12-14-7-8-17(12)6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,18)
InChIKeyZVAFVJOAXLMFLQ-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide (CID 56822577) is 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nccn1CC.
What is the InChIKey of 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is ZVAFVJOAXLMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-16(10-13(18)15-11(3)4)9-12-14-7-8-17(12)6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,18).
What are the key properties of 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 56822577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).