N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide

C25H21N3O3 — CID 5430437

IUPACN-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C25H21N3O3/c1-17(18-11-13-21(14-12-18)26-25(30)23-10-5-15-31-23)27-28-24(29)16-20-8-4-7-19-6-2-3-9-22(19)20/h2-15H,16H2,1H3,(H,26,30)(H,28,29)/b27-17-
InChIKeyYLBRXHLLVWSKLU-PKAZHMFMSA-N
MW411.46 g/mol
LogP4.77
Rot. Bonds6

About N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide

N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 5430437) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID5430437
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C25H21N3O3/c1-17(18-11-13-21(14-12-18)26-25(30)23-10-5-15-31-23)27-28-24(29)16-20-8-4-7-19-6-2-3-9-22(19)20/h2-15H,16H2,1H3,(H,26,30)(H,28,29)/b27-17-
InChIKeyYLBRXHLLVWSKLU-PKAZHMFMSA-N
XLogP4.77
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.77
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

N-[4-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6187407
N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6387299
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 172982960
N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
CID 3545367
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide (CID 5430437) is N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide is C/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is YLBRXHLLVWSKLU-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17(18-11-13-21(14-12-18)26-25(30)23-10-5-15-31-23)27-28-24(29)16-20-8-4-7-19-6-2-3-9-22(19)20/h2-15H,16H2,1H3,(H,26,30)(H,28,29)/b27-17-.
What are the key properties of N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 5430437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).