methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate

C15H16N2O4 — CID 43222502

IUPACmethyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
SMILESCNC(=O)c1cccc(NCc2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C15H16N2O4/c1-16-14(18)10-4-3-5-11(8-10)17-9-12-6-7-13(21-12)15(19)20-2/h3-8,17H,9H2,1-2H3,(H,16,18)
InChIKeyBYRVMENLBRLAFT-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.04
Rot. Bonds5

About methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate

methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate (PubChem CID 43222502) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
PubChem CID43222502
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
SMILESCNC(=O)c1cccc(NCc2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C15H16N2O4/c1-16-14(18)10-4-3-5-11(8-10)17-9-12-6-7-13(21-12)15(19)20-2/h3-8,17H,9H2,1-2H3,(H,16,18)
InChIKeyBYRVMENLBRLAFT-UHFFFAOYSA-N
XLogP2.04
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43767535
methyl 5-[(3-methylsulfonylanilino)methyl]furan-2-carboxylate
CID 60699403
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(3,5-dichloro-4-fluoroanilino)methyl]furan-2-carboxylate
CID 107572628
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
methyl 5-[(3-iodo-4-methylanilino)methyl]furan-2-carboxylate
CID 43230346
methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
CID 62810209
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
CID 115743476

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate (CID 43222502) is methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate is CNC(=O)c1cccc(NCc2ccc(C(=O)OC)o2)c1.
What is the InChIKey of methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate?
The InChIKey is BYRVMENLBRLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-14(18)10-4-3-5-11(8-10)17-9-12-6-7-13(21-12)15(19)20-2/h3-8,17H,9H2,1-2H3,(H,16,18).
What are the key properties of methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate?
methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43222502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).