N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C21H21N3O3 — CID 54843320

IUPACN-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C21H21N3O3/c1-14-6-3-9-18(15(14)2)24-20(25)13-22-16-7-4-8-17(12-16)23-21(26)19-10-5-11-27-19/h3-12,22H,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPXVMXEUWFLQQCC-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.20
Rot. Bonds6

About N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843320) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843320
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1C
InChIInChI=1S/C21H21N3O3/c1-14-6-3-9-18(15(14)2)24-20(25)13-22-16-7-4-8-17(12-16)23-21(26)19-10-5-11-27-19/h3-12,22H,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPXVMXEUWFLQQCC-UHFFFAOYSA-N
XLogP4.20
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843294
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843320) is N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is Cc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1C.
What is the InChIKey of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is PXVMXEUWFLQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-3-9-18(15(14)2)24-20(25)13-22-16-7-4-8-17(12-16)23-21(26)19-10-5-11-27-19/h3-12,22H,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).