N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C20H35NO — CID 139517253

IUPACN-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-21-20(22)19-16-17-12-13-18(19)15-17/h12-13,17-19H,2-11,14-16H2,1H3,(H,21,22)
InChIKeyOGNSNUBBMKTFMX-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.24
Rot. Bonds12

About N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 139517253) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID139517253
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC NameN-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-21-20(22)19-16-17-12-13-18(19)15-17/h12-13,17-19H,2-11,14-16H2,1H3,(H,21,22)
InChIKeyOGNSNUBBMKTFMX-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 139517253) is N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCCCCCCCCCCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is OGNSNUBBMKTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-21-20(22)19-16-17-12-13-18(19)15-17/h12-13,17-19H,2-11,14-16H2,1H3,(H,21,22).
What are the key properties of N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 305.51 g/mol, XLogP of 5.24, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 139517253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).