N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide

C15H16N2O4 — CID 2989336

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2ccc(C)o2)c1
InChIInChI=1S/C15H16N2O4/c1-10-6-7-13(21-10)15(19)16-9-14(18)17-11-4-3-5-12(8-11)20-2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYIBYBBOUTVMDGQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide (PubChem CID 2989336) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
PubChem CID2989336
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2ccc(C)o2)c1
InChIInChI=1S/C15H16N2O4/c1-10-6-7-13(21-10)15(19)16-9-14(18)17-11-4-3-5-12(8-11)20-2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYIBYBBOUTVMDGQ-UHFFFAOYSA-N
XLogP1.97
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-acetamidophenyl)-5-acetylfuran-2-carboxamide
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N-(3-methoxyphenyl)furan-2-carboxamide
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Furan-2-carboxamide deriv., 13
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N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
5-methyl-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 690634
Cambridge id 5798025
CID 744285

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide (CID 2989336) is N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide is COc1cccc(NC(=O)CNC(=O)c2ccc(C)o2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The InChIKey is YIBYBBOUTVMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-6-7-13(21-10)15(19)16-9-14(18)17-11-4-3-5-12(8-11)20-2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2989336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).