1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide

C38H44N6O4 — CID 3422993

IUPAC1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
SMILESCC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C38H44N6O4/c1-25(27-17-21-33(22-18-27)39-35(45)29-9-5-3-6-10-29)41-43-37(47)31-13-15-32(16-14-31)38(48)44-42-26(2)28-19-23-34(24-20-28)40-36(46)30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,39,45)(H,40,46)(H,43,47)(H,44,48)
InChIKeyRKESTYZMCQKMAO-UHFFFAOYSA-N
MW648.81 g/mol
LogP7.03
Rot. Bonds10

About 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide (PubChem CID 3422993) has the molecular formula C38H44N6O4 and a molecular weight of 648.81 g/mol. Its IUPAC name is 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
PubChem CID3422993
Molecular FormulaC38H44N6O4
Molecular Weight648.81 g/mol
Exact Mass648.34
IUPAC Name1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
SMILESCC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C38H44N6O4/c1-25(27-17-21-33(22-18-27)39-35(45)29-9-5-3-6-10-29)41-43-37(47)31-13-15-32(16-14-31)38(48)44-42-26(2)28-19-23-34(24-20-28)40-36(46)30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,39,45)(H,40,46)(H,43,47)(H,44,48)
InChIKeyRKESTYZMCQKMAO-UHFFFAOYSA-N
XLogP7.03
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 57.03
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

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-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
5-bromo-N-[(E)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 27526972
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4249244

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide (CID 3422993) is 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide is CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is RKESTYZMCQKMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N6O4/c1-25(27-17-21-33(22-18-27)39-35(45)29-9-5-3-6-10-29)41-43-37(47)31-13-15-32(16-14-31)38(48)44-42-26(2)28-19-23-34(24-20-28)40-36(46)30-11-7-4-8-12-30/h13-24,29-30H,3-12H2,1-2H3,(H,39,45)(H,40,46)(H,43,47)(H,44,48).
What are the key properties of 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 648.81 g/mol, XLogP of 7.03, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 3422993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).