N,N'-bis(undecan-2-ylideneamino)oxamide

C24H46N4O2 — CID 3097994

IUPACN,N'-bis(undecan-2-ylideneamino)oxamide
SMILESCCCCCCCCCC(C)=NNC(=O)C(=O)NN=C(C)CCCCCCCCC
InChIInChI=1S/C24H46N4O2/c1-5-7-9-11-13-15-17-19-21(3)25-27-23(29)24(30)28-26-22(4)20-18-16-14-12-10-8-6-2/h5-20H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyHWFOITIWZFHMNC-UHFFFAOYSA-N
MW422.66 g/mol
LogP6.25
Rot. Bonds18

About N,N'-bis(undecan-2-ylideneamino)oxamide

N,N'-bis(undecan-2-ylideneamino)oxamide (PubChem CID 3097994) has the molecular formula C24H46N4O2 and a molecular weight of 422.66 g/mol. Its IUPAC name is N,N'-bis(undecan-2-ylideneamino)oxamide.

Molecular Properties

Compound NameN,N'-bis(undecan-2-ylideneamino)oxamide
PubChem CID3097994
Molecular FormulaC24H46N4O2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC NameN,N'-bis(undecan-2-ylideneamino)oxamide
SMILESCCCCCCCCCC(C)=NNC(=O)C(=O)NN=C(C)CCCCCCCCC
InChIInChI=1S/C24H46N4O2/c1-5-7-9-11-13-15-17-19-21(3)25-27-23(29)24(30)28-26-22(4)20-18-16-14-12-10-8-6-2/h5-20H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyHWFOITIWZFHMNC-UHFFFAOYSA-N
XLogP6.25
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
CID 2855495
(nonadec-10-en-2-ylideneamino)urea
CID 71326598
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
2-methyl-N-[(E)-undecan-2-ylideneamino]propan-2-amine
CID 21412758
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-tridecan-2-ylidenehydroxylamine
CID 74054313
N-tetradecan-2-ylidenehydroxylamine
CID 140688122
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
[(E)-nonan-2-ylideneamino] acetate
CID 87079098

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(undecan-2-ylideneamino)oxamide?
The IUPAC name of N,N'-bis(undecan-2-ylideneamino)oxamide (CID 3097994) is N,N'-bis(undecan-2-ylideneamino)oxamide.
What is the SMILES notation for N,N'-bis(undecan-2-ylideneamino)oxamide?
The canonical SMILES for N,N'-bis(undecan-2-ylideneamino)oxamide is CCCCCCCCCC(C)=NNC(=O)C(=O)NN=C(C)CCCCCCCCC.
What is the InChIKey of N,N'-bis(undecan-2-ylideneamino)oxamide?
The InChIKey is HWFOITIWZFHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O2/c1-5-7-9-11-13-15-17-19-21(3)25-27-23(29)24(30)28-26-22(4)20-18-16-14-12-10-8-6-2/h5-20H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(undecan-2-ylideneamino)oxamide?
N,N'-bis(undecan-2-ylideneamino)oxamide has a molecular weight of 422.66 g/mol, XLogP of 6.25, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(undecan-2-ylideneamino)oxamide is sourced from PubChem (CID 3097994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).