methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate

C16H20N2O3 — CID 126838020

IUPACmethyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(CNCc2ccccc2OC)cc1C
InChIInChI=1S/C16H20N2O3/c1-11-8-13(18-15(11)16(19)21-3)10-17-9-12-6-4-5-7-14(12)20-2/h4-8,17-18H,9-10H2,1-3H3
InChIKeyGLESFNQFYYZRPO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds6

About methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate

methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate (PubChem CID 126838020) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate
PubChem CID126838020
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(CNCc2ccccc2OC)cc1C
InChIInChI=1S/C16H20N2O3/c1-11-8-13(18-15(11)16(19)21-3)10-17-9-12-6-4-5-7-14(12)20-2/h4-8,17-18H,9-10H2,1-3H3
InChIKeyGLESFNQFYYZRPO-UHFFFAOYSA-N
XLogP2.41
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114479587
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methyl 5-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225123
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110786198
methyl 4-[(2-methoxyphenyl)methyl]-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxylate
CID 117225129
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998363
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate (CID 126838020) is methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(CNCc2ccccc2OC)cc1C.
What is the InChIKey of methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is GLESFNQFYYZRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-8-13(18-15(11)16(19)21-3)10-17-9-12-6-4-5-7-14(12)20-2/h4-8,17-18H,9-10H2,1-3H3.
What are the key properties of methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate?
methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-methoxyphenyl)methylamino]methyl]-3-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 126838020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).