1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide

C19H36N2O2 — CID 23590157

IUPAC1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide
SMILESCCCCCCCNC(=O)C1CC1C(=O)NCCCCCCC
InChIInChI=1S/C19H36N2O2/c1-3-5-7-9-11-13-20-18(22)16-15-17(16)19(23)21-14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZMOKKXITIZPPHM-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.80
Rot. Bonds14

About 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide

1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide (PubChem CID 23590157) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide
PubChem CID23590157
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide
SMILESCCCCCCCNC(=O)C1CC1C(=O)NCCCCCCC
InChIInChI=1S/C19H36N2O2/c1-3-5-7-9-11-13-20-18(22)16-15-17(16)19(23)21-14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZMOKKXITIZPPHM-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-ethylhexyl)butanediamide
CID 2933775
Pentanediamide, N,N'-dihexyl-
CID 3340798
N'-(cyclopropylmethyl)-N-methylhexadecanediamide
CID 176433356
N-heptyl-N'-(3-methylbutyl)butanediamide
CID 5167475
Pentanedioic acid, bis-dodecylamide
CID 624680
N,N'-bis(3-methylbutyl)pentanediamide
CID 3403659
1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 21086034
1-N,2-N,3-N-trioctadecylpropane-1,2,3-tricarboxamide
CID 22082447
N'-decyl-2-ethyl-4-methylpentanediamide
CID 23522615
N-dodecyl-2-ethyl-N'-hexyl-4-methylpentanediamide
CID 59221260
2-(aminomethyl)-N-pentylcyclopropane-1-carboxamide
CID 68568798
N'-(cyclopropylmethyl)-2-propylbutanediamide
CID 69238841

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide (CID 23590157) is 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide is CCCCCCCNC(=O)C1CC1C(=O)NCCCCCCC.
What is the InChIKey of 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide?
The InChIKey is ZMOKKXITIZPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-3-5-7-9-11-13-20-18(22)16-15-17(16)19(23)21-14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide?
1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide has a molecular weight of 324.51 g/mol, XLogP of 3.80, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diheptylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 23590157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).