ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate

C11H16N2O4 — CID 2989301

IUPACethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(C)c1CNC(N)=O
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)9-7(3)17-6(2)8(9)5-13-11(12)15/h4-5H2,1-3H3,(H3,12,13,15)
InChIKeyYSTIPIHRUWIUBR-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.24
Rot. Bonds4

About ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate

ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 2989301) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID2989301
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(C)c1CNC(N)=O
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)9-7(3)17-6(2)8(9)5-13-11(12)15/h4-5H2,1-3H3,(H3,12,13,15)
InChIKeyYSTIPIHRUWIUBR-UHFFFAOYSA-N
XLogP1.24
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-3-furoic acid
CID 686825
2-({4-[(Carboxymethyl)carbamoyl]-2,5-dimethylfuran-3-yl}formamido)acetic acid
CID 3155633
4-[(4-{[(3-Carboxypropyl)amino]carbonyl}-2,5-dimethyl-3-furoyl)amino]butanoic acid
CID 3240766
Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
CID 591699
2,5-dimethyl-N-[3-(oxolan-3-ylmethoxy)propyl]furan-3-carboxamide
CID 60338800
N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 114383368
2,4,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-3-carboxamide
CID 133817445
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 134025228
2,4,5-trimethyl-N-[2-(methylamino)-2-oxoethyl]furan-3-carboxamide
CID 25674172
N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 42930426
4-(Azaniumylmethyl)-2,5-dimethylfuran-3-carboxylate
CID 3493636
4-[(Diethylazaniumyl)methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylate
CID 4617172

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate (CID 2989301) is ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(C)c1CNC(N)=O.
What is the InChIKey of ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is YSTIPIHRUWIUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-10(14)9-7(3)17-6(2)8(9)5-13-11(12)15/h4-5H2,1-3H3,(H3,12,13,15).
What are the key properties of ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate?
ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(carbamoylamino)methyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2989301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).