methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate

C19H23NO4 — CID 78899184

IUPACmethyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccccc2OC)C2CC2)oc1C
InChIInChI=1S/C19H23NO4/c1-13-17(19(21)23-3)10-16(24-13)12-20(15-8-9-15)11-14-6-4-5-7-18(14)22-2/h4-7,10,15H,8-9,11-12H2,1-3H3
InChIKeyHWMKQDIEQIXBFV-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.55
Rot. Bonds7

About methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78899184) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78899184
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccccc2OC)C2CC2)oc1C
InChIInChI=1S/C19H23NO4/c1-13-17(19(21)23-3)10-16(24-13)12-20(15-8-9-15)11-14-6-4-5-7-18(14)22-2/h4-7,10,15H,8-9,11-12H2,1-3H3
InChIKeyHWMKQDIEQIXBFV-UHFFFAOYSA-N
XLogP3.55
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 5-[[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 111281759
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 111340913
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
N-(cyclohexylmethyl)-2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 55828921
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55502317
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
methyl 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 8686947

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 78899184) is methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(Cc2ccccc2OC)C2CC2)oc1C.
What is the InChIKey of methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is HWMKQDIEQIXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-17(19(21)23-3)10-16(24-13)12-20(15-8-9-15)11-14-6-4-5-7-18(14)22-2/h4-7,10,15H,8-9,11-12H2,1-3H3.
What are the key properties of methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78899184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).