N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide

C20H21N3O3 — CID 1018786

IUPACN-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide
SMILESN#Cc1ccc(OCc2ccc(C=NNC(=O)C3CCCCC3)o2)cc1
InChIInChI=1S/C20H21N3O3/c21-12-15-6-8-17(9-7-15)25-14-19-11-10-18(26-19)13-22-23-20(24)16-4-2-1-3-5-16/h6-11,13,16H,1-5,14H2,(H,23,24)
InChIKeyMXHRGIZBDDMRDK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.76
Rot. Bonds6

About N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide

N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide (PubChem CID 1018786) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide
PubChem CID1018786
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide
SMILESN#Cc1ccc(OCc2ccc(C=NNC(=O)C3CCCCC3)o2)cc1
InChIInChI=1S/C20H21N3O3/c21-12-15-6-8-17(9-7-15)25-14-19-11-10-18(26-19)13-22-23-20(24)16-4-2-1-3-5-16/h6-11,13,16H,1-5,14H2,(H,23,24)
InChIKeyMXHRGIZBDDMRDK-UHFFFAOYSA-N
XLogP3.76
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
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-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 86886568
N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 2833020
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]cyclohexanecarboxamide
CID 9150506
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide
CID 1225303
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126028192
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide (CID 1018786) is N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide is N#Cc1ccc(OCc2ccc(C=NNC(=O)C3CCCCC3)o2)cc1.
What is the InChIKey of N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide?
The InChIKey is MXHRGIZBDDMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c21-12-15-6-8-17(9-7-15)25-14-19-11-10-18(26-19)13-22-23-20(24)16-4-2-1-3-5-16/h6-11,13,16H,1-5,14H2,(H,23,24).
What are the key properties of N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide?
N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 1018786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).