methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate

C27H31N3O5 — CID 24626846

IUPACmethyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H31N3O5/c1-17-8-6-9-18(2)25(17)28-23(31)15-30(14-22-21(12-13-35-22)27(33)34-5)16-24(32)29-26-19(3)10-7-11-20(26)4/h6-13H,14-16H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyVFDIJEFVAUHFGO-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.38
Rot. Bonds9

About methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate

methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate (PubChem CID 24626846) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate
PubChem CID24626846
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Namemethyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H31N3O5/c1-17-8-6-9-18(2)25(17)28-23(31)15-30(14-22-21(12-13-35-22)27(33)34-5)16-24(32)29-26-19(3)10-7-11-20(26)4/h6-13H,14-16H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyVFDIJEFVAUHFGO-UHFFFAOYSA-N
XLogP4.38
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate
CID 142270457
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
CID 115772273
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
CID 66185959
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate (CID 24626846) is methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate?
The InChIKey is VFDIJEFVAUHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-17-8-6-9-18(2)25(17)28-23(31)15-30(14-22-21(12-13-35-22)27(33)34-5)16-24(32)29-26-19(3)10-7-11-20(26)4/h6-13H,14-16H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate?
methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate has a molecular weight of 477.56 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 24626846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).