5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide

C19H23NO — CID 130269435

IUPAC5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
SMILESCCC12CC3CC4(C(N)=O)CC(c5ccccc5)(C1)C32C4
InChIInChI=1S/C19H23NO/c1-2-17-9-14-8-16(15(20)21)10-18(12-17,19(14,17)11-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,20,21)
InChIKeyMKNRPPWDMPJNFF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.40
Rot. Bonds3

About 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide

5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide (PubChem CID 130269435) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
PubChem CID130269435
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
SMILESCCC12CC3CC4(C(N)=O)CC(c5ccccc5)(C1)C32C4
InChIInChI=1S/C19H23NO/c1-2-17-9-14-8-16(15(20)21)10-18(12-17,19(14,17)11-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,20,21)
InChIKeyMKNRPPWDMPJNFF-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The IUPAC name of 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide (CID 130269435) is 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide.
What is the SMILES notation for 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The canonical SMILES for 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide is CCC12CC3CC4(C(N)=O)CC(c5ccccc5)(C1)C32C4.
What is the InChIKey of 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
The InChIKey is MKNRPPWDMPJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-17-9-14-8-16(15(20)21)10-18(12-17,19(14,17)11-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,20,21).
What are the key properties of 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide?
5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide is sourced from PubChem (CID 130269435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).