1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide

C22H42N2O2 — CID 581778

IUPAC1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide
SMILESCCCCCCCN(C)C(=O)C1CCC1C(=O)N(C)CCCCCCC
InChIInChI=1S/C22H42N2O2/c1-5-7-9-11-13-17-23(3)21(25)19-15-16-20(19)22(26)24(4)18-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyXHCVNMBRPQZNHD-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.87
Rot. Bonds14

About 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide

1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide (PubChem CID 581778) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide
PubChem CID581778
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide
SMILESCCCCCCCN(C)C(=O)C1CCC1C(=O)N(C)CCCCCCC
InChIInChI=1S/C22H42N2O2/c1-5-7-9-11-13-17-23(3)21(25)19-15-16-20(19)22(26)24(4)18-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyXHCVNMBRPQZNHD-UHFFFAOYSA-N
XLogP4.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide (CID 581778) is 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide is CCCCCCCN(C)C(=O)C1CCC1C(=O)N(C)CCCCCCC.
What is the InChIKey of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide?
The InChIKey is XHCVNMBRPQZNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-5-7-9-11-13-17-23(3)21(25)19-15-16-20(19)22(26)24(4)18-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide?
1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide has a molecular weight of 366.59 g/mol, XLogP of 4.87, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclobutane-1,2-dicarboxamide is sourced from PubChem (CID 581778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).