5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate

C13H12NO5- — CID 4226340

IUPAC5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCc1cc(C(=O)NCc2cc(C(=O)[O-])co2)c(C)o1
InChIInChI=1S/C13H13NO5/c1-7-3-11(8(2)19-7)12(15)14-5-10-4-9(6-18-10)13(16)17/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)/p-1
InChIKeyMMBZGIMQLXCMAH-UHFFFAOYSA-M
MW262.24 g/mol
LogP0.78
Rot. Bonds4

About 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate

5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 4226340) has the molecular formula C13H12NO5- and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Name5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID4226340
Molecular FormulaC13H12NO5-
Molecular Weight262.24 g/mol
Exact Mass262.07
IUPAC Name5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCc1cc(C(=O)NCc2cc(C(=O)[O-])co2)c(C)o1
InChIInChI=1S/C13H13NO5/c1-7-3-11(8(2)19-7)12(15)14-5-10-4-9(6-18-10)13(16)17/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)/p-1
InChIKeyMMBZGIMQLXCMAH-UHFFFAOYSA-M
XLogP0.78
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-2-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 3482324
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
4-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 844983
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137429

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate (CID 4226340) is 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate is Cc1cc(C(=O)NCc2cc(C(=O)[O-])co2)c(C)o1.
What is the InChIKey of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is MMBZGIMQLXCMAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13NO5/c1-7-3-11(8(2)19-7)12(15)14-5-10-4-9(6-18-10)13(16)17/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 4226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).