N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide

C15H15NO3 — CID 82120675

IUPACN-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H15NO3/c1-10-5-6-12(8-11(10)2)13(17)9-16-15(18)14-4-3-7-19-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyMUCVAOGTNCNMOB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide

N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 82120675) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID82120675
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)CNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H15NO3/c1-10-5-6-12(8-11(10)2)13(17)9-16-15(18)14-4-3-7-19-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyMUCVAOGTNCNMOB-UHFFFAOYSA-N
XLogP2.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-diethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 157121244
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464
N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 9162978
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[4-[[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]amino]phenyl]furan-2-carboxamide
CID 51045899

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 82120675) is N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide is Cc1ccc(C(=O)CNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MUCVAOGTNCNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-5-6-12(8-11(10)2)13(17)9-16-15(18)14-4-3-7-19-14/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 82120675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).