N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide

C15H21NO3 — CID 154076721

IUPACN,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
SMILESCON(OC)C(=O)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H21NO3/c1-18-16(19-2)15(17)12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,5-7H2,1-2H3
InChIKeySRVLWVMMMBUORU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds3

About N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide

N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide (PubChem CID 154076721) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
PubChem CID154076721
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
SMILESCON(OC)C(=O)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H21NO3/c1-18-16(19-2)15(17)12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,5-7H2,1-2H3
InChIKeySRVLWVMMMBUORU-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
CID 139919678
methyl (1R,3R,6R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 11183564
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
CID 157102741
2-hydroxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 23377191
2-hydroxyethyl (2S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 71195761
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
1-cyclooctyloxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172815465
propoxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353382
9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 123420244
2-methylpropoxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353298
(1-ethylcyclooctyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172737418

Frequently Asked Questions

What is the IUPAC name of N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The IUPAC name of N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide (CID 154076721) is N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide.
What is the SMILES notation for N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The canonical SMILES for N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide is CON(OC)C(=O)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The InChIKey is SRVLWVMMMBUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-16(19-2)15(17)12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,5-7H2,1-2H3.
What are the key properties of N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide is sourced from PubChem (CID 154076721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).