2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide

C12H22N4O — CID 60695215

IUPAC2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCCn1ccnc1
InChIInChI=1S/C12H22N4O/c1-10(2)11(3)15-12(17)8-13-4-6-16-7-5-14-9-16/h5,7,9-11,13H,4,6,8H2,1-3H3,(H,15,17)
InChIKeyALMJOIFDGLJWBD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.63
Rot. Bonds7

About 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide

2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60695215) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID60695215
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCCn1ccnc1
InChIInChI=1S/C12H22N4O/c1-10(2)11(3)15-12(17)8-13-4-6-16-7-5-14-9-16/h5,7,9-11,13H,4,6,8H2,1-3H3,(H,15,17)
InChIKeyALMJOIFDGLJWBD-UHFFFAOYSA-N
XLogP0.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
(2S)-2-amino-N-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962087
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
CID 54961391
2-bromo-N-(2-imidazol-1-ylethyl)prop-2-en-1-amine
CID 61462752
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide (CID 60695215) is 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNCCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ALMJOIFDGLJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)11(3)15-12(17)8-13-4-6-16-7-5-14-9-16/h5,7,9-11,13H,4,6,8H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide?
2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60695215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).