N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide

C34H44N6O4 — CID 3344683

IUPACN,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C34H44N6O4/c1-23(25-13-17-29(18-14-25)35-33(43)27-9-5-3-6-10-27)37-39-31(41)21-22-32(42)40-38-24(2)26-15-19-30(20-16-26)36-34(44)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3,(H,35,43)(H,36,44)(H,39,41)(H,40,42)
InChIKeyBILYPHXWMGCVIM-UHFFFAOYSA-N
MW600.76 g/mol
LogP5.89
Rot. Bonds11

About N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide

N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide (PubChem CID 3344683) has the molecular formula C34H44N6O4 and a molecular weight of 600.76 g/mol. Its IUPAC name is N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
PubChem CID3344683
Molecular FormulaC34H44N6O4
Molecular Weight600.76 g/mol
Exact Mass600.34
IUPAC NameN,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C34H44N6O4/c1-23(25-13-17-29(18-14-25)35-33(43)27-9-5-3-6-10-27)37-39-31(41)21-22-32(42)40-38-24(2)26-15-19-30(20-16-26)36-34(44)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3,(H,35,43)(H,36,44)(H,39,41)(H,40,42)
InChIKeyBILYPHXWMGCVIM-UHFFFAOYSA-N
XLogP5.89
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5223518
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6165307
N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 4619504
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-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 4147902
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide?
The IUPAC name of N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide (CID 3344683) is N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide?
The InChIKey is BILYPHXWMGCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O4/c1-23(25-13-17-29(18-14-25)35-33(43)27-9-5-3-6-10-27)37-39-31(41)21-22-32(42)40-38-24(2)26-15-19-30(20-16-26)36-34(44)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3,(H,35,43)(H,36,44)(H,39,41)(H,40,42).
What are the key properties of N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide?
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide has a molecular weight of 600.76 g/mol, XLogP of 5.89, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide is sourced from PubChem (CID 3344683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).