N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide

C21H26N6O2 — CID 68508823

IUPACN,N'-bis(4-methanehydrazonoylphenyl)heptanediamide
SMILESNN=Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C=NN)cc2)cc1
InChIInChI=1S/C21H26N6O2/c22-24-14-16-6-10-18(11-7-16)26-20(28)4-2-1-3-5-21(29)27-19-12-8-17(9-13-19)15-25-23/h6-15H,1-5,22-23H2,(H,26,28)(H,27,29)
InChIKeyOWBVXHRAPXIAGQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.80
Rot. Bonds10

About N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide

N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide (PubChem CID 68508823) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide.

Molecular Properties

Compound NameN,N'-bis(4-methanehydrazonoylphenyl)heptanediamide
PubChem CID68508823
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN,N'-bis(4-methanehydrazonoylphenyl)heptanediamide
SMILESNN=Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C=NN)cc2)cc1
InChIInChI=1S/C21H26N6O2/c22-24-14-16-6-10-18(11-7-16)26-20(28)4-2-1-3-5-21(29)27-19-12-8-17(9-13-19)15-25-23/h6-15H,1-5,22-23H2,(H,26,28)(H,27,29)
InChIKeyOWBVXHRAPXIAGQ-UHFFFAOYSA-N
XLogP2.80
TPSA134.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide
CID 142639898
N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide
CID 142639904
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]oxy-3-oxopropanoic acid
CID 173253547
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]hex-5-enoic acid
CID 70063052
(3S)-4-hydroxy-3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]butanoic acid
CID 70061469
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
3-cyclopropyl-2-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 70210728
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
CID 70077971
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]-5-methoxyhexanoic acid
CID 67877292

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide?
The IUPAC name of N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide (CID 68508823) is N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide.
What is the SMILES notation for N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide?
The canonical SMILES for N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide is NN=Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C=NN)cc2)cc1.
What is the InChIKey of N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide?
The InChIKey is OWBVXHRAPXIAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c22-24-14-16-6-10-18(11-7-16)26-20(28)4-2-1-3-5-21(29)27-19-12-8-17(9-13-19)15-25-23/h6-15H,1-5,22-23H2,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide?
N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide has a molecular weight of 394.48 g/mol, XLogP of 2.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide is sourced from PubChem (CID 68508823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).