methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate

C14H15N3O3 — CID 56864377

IUPACmethyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(NC(=O)c1ncc[nH]1)c1cccc(C)c1
InChIInChI=1S/C14H15N3O3/c1-9-4-3-5-10(8-9)11(14(19)20-2)17-13(18)12-15-6-7-16-12/h3-8,11H,1-2H3,(H,15,16)(H,17,18)
InChIKeySURDVMABMCRBIK-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate

methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate (PubChem CID 56864377) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate
PubChem CID56864377
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(NC(=O)c1ncc[nH]1)c1cccc(C)c1
InChIInChI=1S/C14H15N3O3/c1-9-4-3-5-10(8-9)11(14(19)20-2)17-13(18)12-15-6-7-16-12/h3-8,11H,1-2H3,(H,15,16)(H,17,18)
InChIKeySURDVMABMCRBIK-UHFFFAOYSA-N
XLogP1.36
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 95552550
methyl 2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 56872619
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
methyl 2-(3-methylphenyl)-2-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonylamino)acetate
CID 90640248
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
CID 64539915
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
methyl 3-(methylamino)-2-(3-methylphenyl)propanoate
CID 117243238
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate?
The IUPAC name of methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate (CID 56864377) is methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate?
The canonical SMILES for methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate is COC(=O)C(NC(=O)c1ncc[nH]1)c1cccc(C)c1.
What is the InChIKey of methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate?
The InChIKey is SURDVMABMCRBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-4-3-5-10(8-9)11(14(19)20-2)17-13(18)12-15-6-7-16-12/h3-8,11H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate?
methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate has a molecular weight of 273.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazole-2-carbonylamino)-2-(3-methylphenyl)acetate is sourced from PubChem (CID 56864377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).