N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide

C21H20N4O4 — CID 134050707

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C21H20N4O4/c1-28-23-13-15-4-6-16(7-5-15)20(26)24-17-8-10-18(11-9-17)25-21(27)22-14-19-3-2-12-29-19/h2-13H,14H2,1H3,(H,24,26)(H2,22,25,27)/b23-13+
InChIKeyZTTDWMZMPJMRLN-YDZHTSKRSA-N
MW392.42 g/mol
LogP3.83
Rot. Bonds7

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide (PubChem CID 134050707) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
PubChem CID134050707
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C21H20N4O4/c1-28-23-13-15-4-6-16(7-5-15)20(26)24-17-8-10-18(11-9-17)25-21(27)22-14-19-3-2-12-29-19/h2-13H,14H2,1H3,(H,24,26)(H2,22,25,27)/b23-13+
InChIKeyZTTDWMZMPJMRLN-YDZHTSKRSA-N
XLogP3.83
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
CID 35338148
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 46525396
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
CID 103598921
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 122133981

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide (CID 134050707) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide is CO/N=C/c1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
The InChIKey is ZTTDWMZMPJMRLN-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-23-13-15-4-6-16(7-5-15)20(26)24-17-8-10-18(11-9-17)25-21(27)22-14-19-3-2-12-29-19/h2-13H,14H2,1H3,(H,24,26)(H2,22,25,27)/b23-13+.
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide is sourced from PubChem (CID 134050707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).