1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide

C14H22N2O2 — CID 2234553

IUPAC1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)NCC=C)CC1
InChIInChI=1S/C14H22N2O2/c1-3-9-15-13(17)11-5-7-12(8-6-11)14(18)16-10-4-2/h3-4,11-12H,1-2,5-10H2,(H,15,17)(H,16,18)
InChIKeyAEJQXXKRRSAFAC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds6

About 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide (PubChem CID 2234553) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide
PubChem CID2234553
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)NCC=C)CC1
InChIInChI=1S/C14H22N2O2/c1-3-9-15-13(17)11-5-7-12(8-6-11)14(18)16-10-4-2/h3-4,11-12H,1-2,5-10H2,(H,15,17)(H,16,18)
InChIKeyAEJQXXKRRSAFAC-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide (CID 2234553) is 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide is C=CCNC(=O)C1CCC(C(=O)NCC=C)CC1.
What is the InChIKey of 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is AEJQXXKRRSAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-15-13(17)11-5-7-12(8-6-11)14(18)16-10-4-2/h3-4,11-12H,1-2,5-10H2,(H,15,17)(H,16,18).
What are the key properties of 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(prop-2-enyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 2234553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).