N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide

C23H25N3O3 — CID 46478628

IUPACN-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1C
InChIInChI=1S/C23H25N3O3/c1-3-26(20-8-5-4-7-17(20)2)15-14-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-16-29-21/h4-13,16H,3,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFXOIVSMQSYSEHP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.10
Rot. Bonds8

About N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 46478628) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID46478628
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1C
InChIInChI=1S/C23H25N3O3/c1-3-26(20-8-5-4-7-17(20)2)15-14-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-16-29-21/h4-13,16H,3,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFXOIVSMQSYSEHP-UHFFFAOYSA-N
XLogP4.10
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 17407524
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 27760510
N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 46478628) is N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide is CCN(CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1C.
What is the InChIKey of N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is FXOIVSMQSYSEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-26(20-8-5-4-7-17(20)2)15-14-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-16-29-21/h4-13,16H,3,14-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46478628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).