N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide

C21H25N3O3 — CID 6104426

IUPACN-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(C)o1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H25N3O3/c1-14-8-13-19(27-14)21(26)24-23-15(2)16-9-11-18(12-10-16)22-20(25)17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,22,25)(H,24,26)/b23-15-
InChIKeyADZKOVAHFYNTDC-HAHDFKILSA-N
MW367.45 g/mol
LogP4.26
Rot. Bonds5

About N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide

N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 6104426) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
PubChem CID6104426
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(C)o1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H25N3O3/c1-14-8-13-19(27-14)21(26)24-23-15(2)16-9-11-18(12-10-16)22-20(25)17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,22,25)(H,24,26)/b23-15-
InChIKeyADZKOVAHFYNTDC-HAHDFKILSA-N
XLogP4.26
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 27526972
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
5-bromo-N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 4105302
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6064694
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide (CID 6104426) is N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide is C/C(=N/NC(=O)c1ccc(C)o1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is ADZKOVAHFYNTDC-HAHDFKILSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-8-13-19(27-14)21(26)24-23-15(2)16-9-11-18(12-10-16)22-20(25)17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,22,25)(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide?
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 6104426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).