methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate

C18H21NO6 — CID 47069980

IUPACmethyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOCCOc1cccc(C(=O)NCc2cc(C(=O)OC)c(C)o2)c1
InChIInChI=1S/C18H21NO6/c1-12-16(18(21)23-3)10-15(25-12)11-19-17(20)13-5-4-6-14(9-13)24-8-7-22-2/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,20)
InChIKeyFWQJBMCIWNAMOC-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.33
Rot. Bonds8

About methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 47069980) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID47069980
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Namemethyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOCCOc1cccc(C(=O)NCc2cc(C(=O)OC)c(C)o2)c1
InChIInChI=1S/C18H21NO6/c1-12-16(18(21)23-3)10-15(25-12)11-19-17(20)13-5-4-6-14(9-13)24-8-7-22-2/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,20)
InChIKeyFWQJBMCIWNAMOC-UHFFFAOYSA-N
XLogP2.33
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60649742
methyl 5-[[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612592
5-[[(3-ethylsulfonylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523931
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 47069980) is methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate is COCCOc1cccc(C(=O)NCc2cc(C(=O)OC)c(C)o2)c1.
What is the InChIKey of methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is FWQJBMCIWNAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-12-16(18(21)23-3)10-15(25-12)11-19-17(20)13-5-4-6-14(9-13)24-8-7-22-2/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 47069980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).