N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide

C31H30N6O6 — CID 3545367

IUPACN,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
SMILESCC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C31H30N6O6/c1-20(22-8-3-10-24(18-22)32-30(40)26-12-6-16-42-26)34-36-28(38)14-5-15-29(39)37-35-21(2)23-9-4-11-25(19-23)33-31(41)27-13-7-17-43-27/h3-4,6-13,16-19H,5,14-15H2,1-2H3,(H,32,40)(H,33,41)(H,36,38)(H,37,39)
InChIKeyKLXPVTOTFUFSEM-UHFFFAOYSA-N
MW582.62 g/mol
LogP4.93
Rot. Bonds12

About N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide

N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide (PubChem CID 3545367) has the molecular formula C31H30N6O6 and a molecular weight of 582.62 g/mol. Its IUPAC name is N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
PubChem CID3545367
Molecular FormulaC31H30N6O6
Molecular Weight582.62 g/mol
Exact Mass582.22
IUPAC NameN,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
SMILESCC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C31H30N6O6/c1-20(22-8-3-10-24(18-22)32-30(40)26-12-6-16-42-26)34-36-28(38)14-5-15-29(39)37-35-21(2)23-9-4-11-25(19-23)33-31(41)27-13-7-17-43-27/h3-4,6-13,16-19H,5,14-15H2,1-2H3,(H,32,40)(H,33,41)(H,36,38)(H,37,39)
InChIKeyKLXPVTOTFUFSEM-UHFFFAOYSA-N
XLogP4.93
TPSA167.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.62
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
CID 4999715
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
N-[3-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 7308931
N,N'-bis[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanediamide
CID 3899858
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(Z)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6019561
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
3-chloro-N-[3-[(Z)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]benzamide
CID 126147743

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide?
The IUPAC name of N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide (CID 3545367) is N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide.
What is the SMILES notation for N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide?
The canonical SMILES for N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide is CC(=NNC(=O)CCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide?
The InChIKey is KLXPVTOTFUFSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O6/c1-20(22-8-3-10-24(18-22)32-30(40)26-12-6-16-42-26)34-36-28(38)14-5-15-29(39)37-35-21(2)23-9-4-11-25(19-23)33-31(41)27-13-7-17-43-27/h3-4,6-13,16-19H,5,14-15H2,1-2H3,(H,32,40)(H,33,41)(H,36,38)(H,37,39).
What are the key properties of N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide?
N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide has a molecular weight of 582.62 g/mol, XLogP of 4.93, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide is sourced from PubChem (CID 3545367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).