N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide

C16H24N2O2 — CID 70492313

IUPACN-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide
SMILESO=C(NCCNC(=O)C1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C16H24N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h3,5,7,9,13-14H,1-2,4,6,8,10-12H2,(H,17,19)(H,18,20)
InChIKeyOFPQSRQBJMSDNF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide

N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide (PubChem CID 70492313) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide
PubChem CID70492313
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide
SMILESO=C(NCCNC(=O)C1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C16H24N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h3,5,7,9,13-14H,1-2,4,6,8,10-12H2,(H,17,19)(H,18,20)
InChIKeyOFPQSRQBJMSDNF-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide?
The IUPAC name of N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide (CID 70492313) is N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide?
The canonical SMILES for N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide is O=C(NCCNC(=O)C1C=CCCC1)C1C=CCCC1.
What is the InChIKey of N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide?
The InChIKey is OFPQSRQBJMSDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(13-7-3-1-4-8-13)17-11-12-18-16(20)14-9-5-2-6-10-14/h3,5,7,9,13-14H,1-2,4,6,8,10-12H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide?
N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-2-ene-1-carbonylamino)ethyl]cyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 70492313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).