methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate

C15H15NO4 — CID 660401

IUPACmethyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(C(C)=O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4/c1-11(17)16(12-6-4-3-5-7-12)10-13-8-9-14(20-13)15(18)19-2/h3-9H,10H2,1-2H3
InChIKeySZRVFJGEFLDYBD-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.62
Rot. Bonds4

About methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate

methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate (PubChem CID 660401) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate
PubChem CID660401
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(C(C)=O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4/c1-11(17)16(12-6-4-3-5-7-12)10-13-8-9-14(20-13)15(18)19-2/h3-9H,10H2,1-2H3
InChIKeySZRVFJGEFLDYBD-UHFFFAOYSA-N
XLogP2.62
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate (CID 660401) is methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(C(C)=O)c2ccccc2)o1.
What is the InChIKey of methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate?
The InChIKey is SZRVFJGEFLDYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11(17)16(12-6-4-3-5-7-12)10-13-8-9-14(20-13)15(18)19-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate?
methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(N-acetylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 660401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).