methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate

C13H21N3O3 — CID 65172997

IUPACmethyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1CC(=O)NCCC(C)C
InChIInChI=1S/C13H21N3O3/c1-9(2)5-6-14-12(17)8-16-10(3)15-7-11(16)13(18)19-4/h7,9H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyQJGJXRQKZYADOO-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate

methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate (PubChem CID 65172997) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
PubChem CID65172997
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1CC(=O)NCCC(C)C
InChIInChI=1S/C13H21N3O3/c1-9(2)5-6-14-12(17)8-16-10(3)15-7-11(16)13(18)19-4/h7,9H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyQJGJXRQKZYADOO-UHFFFAOYSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65173047
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596
methyl 2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172945
methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
CID 65171561
2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid
CID 65173163
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
3-[2-(butylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172698
methyl 3-(3-cyanopropyl)-2-methylimidazole-4-carboxylate
CID 65172627
methyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylimidazole-4-carboxylate
CID 65171005
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 79375771
1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622293
methyl 3-[(3,4-dimethylphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171500

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate (CID 65172997) is methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate is COC(=O)c1cnc(C)n1CC(=O)NCCC(C)C.
What is the InChIKey of methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate?
The InChIKey is QJGJXRQKZYADOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)5-6-14-12(17)8-16-10(3)15-7-11(16)13(18)19-4/h7,9H,5-6,8H2,1-4H3,(H,14,17).
What are the key properties of methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate?
methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate is sourced from PubChem (CID 65172997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).