N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide

C22H21N3O4 — CID 27760510

IUPACN-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H21N3O4/c1-14-5-3-6-15(2)20(14)25-19(26)13-23-21(27)16-8-10-17(11-9-16)24-22(28)18-7-4-12-29-18/h3-12H,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyXHFCRNKVANNHSQ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.52
Rot. Bonds6

About N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 27760510) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID27760510
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H21N3O4/c1-14-5-3-6-15(2)20(14)25-19(26)13-23-21(27)16-8-10-17(11-9-16)24-22(28)18-7-4-12-29-18/h3-12H,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyXHFCRNKVANNHSQ-UHFFFAOYSA-N
XLogP3.52
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764342
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002051
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 27760510) is N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XHFCRNKVANNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-5-3-6-15(2)20(14)25-19(26)13-23-21(27)16-8-10-17(11-9-16)24-22(28)18-7-4-12-29-18/h3-12H,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 27760510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).