N,N'-bis(heptan-4-ylideneamino)oxamide

C16H30N4O2 — CID 3704991

IUPACN,N'-bis(heptan-4-ylideneamino)oxamide
SMILESCCCC(CCC)=NNC(=O)C(=O)NN=C(CCC)CCC
InChIInChI=1S/C16H30N4O2/c1-5-9-13(10-6-2)17-19-15(21)16(22)20-18-14(11-7-3)12-8-4/h5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySTLQLAORHDUAPR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.13
Rot. Bonds10

About N,N'-bis(heptan-4-ylideneamino)oxamide

N,N'-bis(heptan-4-ylideneamino)oxamide (PubChem CID 3704991) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N'-bis(heptan-4-ylideneamino)oxamide.

Molecular Properties

Compound NameN,N'-bis(heptan-4-ylideneamino)oxamide
PubChem CID3704991
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN,N'-bis(heptan-4-ylideneamino)oxamide
SMILESCCCC(CCC)=NNC(=O)C(=O)NN=C(CCC)CCC
InChIInChI=1S/C16H30N4O2/c1-5-9-13(10-6-2)17-19-15(21)16(22)20-18-14(11-7-3)12-8-4/h5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySTLQLAORHDUAPR-UHFFFAOYSA-N
XLogP3.13
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N-(heptan-4-ylideneamino)cyclopropanecarboxamide
CID 4282887
[(E)-decan-4-ylideneamino]urea
CID 121216482
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
heptane-3,5-dione;bis(hexan-3-one)
CID 161435839
2-(4-chlorophenyl)sulfanyl-N-(heptan-4-ylideneamino)acetamide
CID 7241820
N-(heptan-4-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4050988
(4E)-4-hydroxyiminoheptan-3-one
CID 18594319
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
CID 2855495

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(heptan-4-ylideneamino)oxamide?
The IUPAC name of N,N'-bis(heptan-4-ylideneamino)oxamide (CID 3704991) is N,N'-bis(heptan-4-ylideneamino)oxamide.
What is the SMILES notation for N,N'-bis(heptan-4-ylideneamino)oxamide?
The canonical SMILES for N,N'-bis(heptan-4-ylideneamino)oxamide is CCCC(CCC)=NNC(=O)C(=O)NN=C(CCC)CCC.
What is the InChIKey of N,N'-bis(heptan-4-ylideneamino)oxamide?
The InChIKey is STLQLAORHDUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-5-9-13(10-6-2)17-19-15(21)16(22)20-18-14(11-7-3)12-8-4/h5-12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(heptan-4-ylideneamino)oxamide?
N,N'-bis(heptan-4-ylideneamino)oxamide has a molecular weight of 310.44 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(heptan-4-ylideneamino)oxamide is sourced from PubChem (CID 3704991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).