N,N'-bis[(E)-propylideneamino]dodecanediamide

C18H34N4O2 — CID 122685099

IUPACN,N'-bis[(E)-propylideneamino]dodecanediamide
SMILESCC/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/CC
InChIInChI=1S/C18H34N4O2/c1-3-15-19-21-17(23)13-11-9-7-5-6-8-10-12-14-18(24)22-20-16-4-2/h15-16H,3-14H2,1-2H3,(H,21,23)(H,22,24)/b19-15+,20-16+
InChIKeyXKVMNMVQTZCDDX-MXWIWYRXSA-N
MW338.50 g/mol
LogP3.91
Rot. Bonds15

About N,N'-bis[(E)-propylideneamino]dodecanediamide

N,N'-bis[(E)-propylideneamino]dodecanediamide (PubChem CID 122685099) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N'-bis[(E)-propylideneamino]dodecanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-propylideneamino]dodecanediamide
PubChem CID122685099
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN,N'-bis[(E)-propylideneamino]dodecanediamide
SMILESCC/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/CC
InChIInChI=1S/C18H34N4O2/c1-3-15-19-21-17(23)13-11-9-7-5-6-8-10-12-14-18(24)22-20-16-4-2/h15-16H,3-14H2,1-2H3,(H,21,23)(H,22,24)/b19-15+,20-16+
InChIKeyXKVMNMVQTZCDDX-MXWIWYRXSA-N
XLogP3.91
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-(nonylideneamino)decanamide
CID 5084396
N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)octanamide
CID 4295690
N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
CID 139847717
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550
N-(2-phenylethylideneamino)nonanamide
CID 3280851
N-(but-2-enylideneamino)octanamide
CID 5180348
N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-propylideneamino]dodecanediamide?
The IUPAC name of N,N'-bis[(E)-propylideneamino]dodecanediamide (CID 122685099) is N,N'-bis[(E)-propylideneamino]dodecanediamide.
What is the SMILES notation for N,N'-bis[(E)-propylideneamino]dodecanediamide?
The canonical SMILES for N,N'-bis[(E)-propylideneamino]dodecanediamide is CC/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/CC.
What is the InChIKey of N,N'-bis[(E)-propylideneamino]dodecanediamide?
The InChIKey is XKVMNMVQTZCDDX-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-3-15-19-21-17(23)13-11-9-7-5-6-8-10-12-14-18(24)22-20-16-4-2/h15-16H,3-14H2,1-2H3,(H,21,23)(H,22,24)/b19-15+,20-16+.
What are the key properties of N,N'-bis[(E)-propylideneamino]dodecanediamide?
N,N'-bis[(E)-propylideneamino]dodecanediamide has a molecular weight of 338.50 g/mol, XLogP of 3.91, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-propylideneamino]dodecanediamide is sourced from PubChem (CID 122685099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).