N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide

C21H20N2O3 — CID 17399777

IUPACN-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-2-23(15-16-7-4-3-5-8-16)21(25)17-10-12-18(13-11-17)22-20(24)19-9-6-14-26-19/h3-14H,2,15H2,1H3,(H,22,24)
InChIKeyPADDRIGXSKVZBP-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.19
Rot. Bonds6

About N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17399777) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID17399777
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-2-23(15-16-7-4-3-5-8-16)21(25)17-10-12-18(13-11-17)22-20(24)19-9-6-14-26-19/h3-14H,2,15H2,1H3,(H,22,24)
InChIKeyPADDRIGXSKVZBP-UHFFFAOYSA-N
XLogP4.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 51205488
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 17407524
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide (CID 17399777) is N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is PADDRIGXSKVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-23(15-16-7-4-3-5-8-16)21(25)17-10-12-18(13-11-17)22-20(24)19-9-6-14-26-19/h3-14H,2,15H2,1H3,(H,22,24).
What are the key properties of N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17399777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).