N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide

C20H29NO — CID 172861989

IUPACN-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H29NO/c22-20(21-11-12-4-2-1-3-5-12)17-10-15-9-16(17)19-14-7-6-13(8-14)18(15)19/h6-7,12-19H,1-5,8-11H2,(H,21,22)
InChIKeyZLYNWSHRSCMKBM-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.78
Rot. Bonds3

About N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide

N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide (PubChem CID 172861989) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
PubChem CID172861989
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H29NO/c22-20(21-11-12-4-2-1-3-5-12)17-10-15-9-16(17)19-14-7-6-13(8-14)18(15)19/h6-7,12-19H,1-5,8-11H2,(H,21,22)
InChIKeyZLYNWSHRSCMKBM-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide (CID 172861989) is N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide is O=C(NCC1CCCCC1)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The InChIKey is ZLYNWSHRSCMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c22-20(21-11-12-4-2-1-3-5-12)17-10-15-9-16(17)19-14-7-6-13(8-14)18(15)19/h6-7,12-19H,1-5,8-11H2,(H,21,22).
What are the key properties of N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide is sourced from PubChem (CID 172861989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).