N,N'-diheptyloxamide

C16H32N2O2 — CID 3417538

IUPACN,N'-diheptyloxamide
SMILESCCCCCCCNC(=O)C(=O)NCCCCCCC
InChIInChI=1S/C16H32N2O2/c1-3-5-7-9-11-13-17-15(19)16(20)18-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDDSIEBGLDQWWKA-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.16
Rot. Bonds12

About N,N'-diheptyloxamide

N,N'-diheptyloxamide (PubChem CID 3417538) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N,N'-diheptyloxamide.

Molecular Properties

Compound NameN,N'-diheptyloxamide
PubChem CID3417538
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN,N'-diheptyloxamide
SMILESCCCCCCCNC(=O)C(=O)NCCCCCCC
InChIInChI=1S/C16H32N2O2/c1-3-5-7-9-11-13-17-15(19)16(20)18-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyDDSIEBGLDQWWKA-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
methyl 2-[6-[(2-methoxy-2-oxoacetyl)amino]hexylamino]-2-oxoacetate;N-octyl-N'-[6-[[2-(octylamino)-2-oxoacetyl]amino]hexyl]oxamide
CID 158140787
N'-(3-chloropropyl)-N-pentyloxamide
CID 108513677
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-oxo-N-tetradecyloctadecanamide
CID 87948435
N-tetradecylpentanamide
CID 87172595
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
N-nonadecylacetamide
CID 54574805
1-butyl-3-octylurea
CID 17269600
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452

Frequently Asked Questions

What is the IUPAC name of N,N'-diheptyloxamide?
The IUPAC name of N,N'-diheptyloxamide (CID 3417538) is N,N'-diheptyloxamide.
What is the SMILES notation for N,N'-diheptyloxamide?
The canonical SMILES for N,N'-diheptyloxamide is CCCCCCCNC(=O)C(=O)NCCCCCCC.
What is the InChIKey of N,N'-diheptyloxamide?
The InChIKey is DDSIEBGLDQWWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-5-7-9-11-13-17-15(19)16(20)18-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-diheptyloxamide?
N,N'-diheptyloxamide has a molecular weight of 284.44 g/mol, XLogP of 3.16, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diheptyloxamide is sourced from PubChem (CID 3417538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).