methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate

C20H26N2O4 — CID 120665849

IUPACmethyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(c2ccc(C)o2)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O4/c1-15-3-8-19(26-15)18(22-9-11-25-12-10-22)14-21-13-16-4-6-17(7-5-16)20(23)24-2/h3-8,18,21H,9-14H2,1-2H3
InChIKeyDCXOQNJNZWOSBC-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.54
Rot. Bonds7

About methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate

methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate (PubChem CID 120665849) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
PubChem CID120665849
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC(c2ccc(C)o2)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O4/c1-15-3-8-19(26-15)18(22-9-11-25-12-10-22)14-21-13-16-4-6-17(7-5-16)20(23)24-2/h3-8,18,21H,9-14H2,1-2H3
InChIKeyDCXOQNJNZWOSBC-UHFFFAOYSA-N
XLogP2.54
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate with MolForge

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Related Compounds

2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
CID 47015161
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119125278
2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 120509291
methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate
CID 94820145
N-[(4-chloro-3-nitrophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509324
2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 120509276
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111181346
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate (CID 120665849) is methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate is COC(=O)c1ccc(CNCC(c2ccc(C)o2)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate?
The InChIKey is DCXOQNJNZWOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15-3-8-19(26-15)18(22-9-11-25-12-10-22)14-21-13-16-4-6-17(7-5-16)20(23)24-2/h3-8,18,21H,9-14H2,1-2H3.
What are the key properties of methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate?
methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate has a molecular weight of 358.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate is sourced from PubChem (CID 120665849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).