methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate

C16H18N2O3 — CID 43423135

IUPACmethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ccc(C)n1C
InChIInChI=1S/C16H18N2O3/c1-11-9-10-14(17(11)2)15(19)18(3)13-8-6-5-7-12(13)16(20)21-4/h5-10H,1-4H3
InChIKeyGCUWVSGIBVSJDO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.40
Rot. Bonds3

About methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate

methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate (PubChem CID 43423135) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
PubChem CID43423135
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ccc(C)n1C
InChIInChI=1S/C16H18N2O3/c1-11-9-10-14(17(11)2)15(19)18(3)13-8-6-5-7-12(13)16(20)21-4/h5-10H,1-4H3
InChIKeyGCUWVSGIBVSJDO-UHFFFAOYSA-N
XLogP2.40
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423137
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
methyl 2-[3-acetamidopropanoyl(methyl)amino]benzoate
CID 43423098
methyl 2-[[2-(4-fluorophenyl)triazole-4-carbonyl]-methylamino]benzoate
CID 99695986
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
CID 20787944
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
methyl 2-[(1-acetylazetidine-3-carbonyl)-methylamino]benzoate
CID 71785230

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate?
The IUPAC name of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate (CID 43423135) is methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate?
The canonical SMILES for methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1ccc(C)n1C.
What is the InChIKey of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate?
The InChIKey is GCUWVSGIBVSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-9-10-14(17(11)2)15(19)18(3)13-8-6-5-7-12(13)16(20)21-4/h5-10H,1-4H3.
What are the key properties of methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate?
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate has a molecular weight of 286.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate is sourced from PubChem (CID 43423135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).