7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide

C19H27NO2 — CID 163236422

IUPAC7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide
SMILESCCC1CCC2(C1)CC(C(=O)NCc1cccc(OC)c1)C2
InChIInChI=1S/C19H27NO2/c1-3-14-7-8-19(10-14)11-16(12-19)18(21)20-13-15-5-4-6-17(9-15)22-2/h4-6,9,14,16H,3,7-8,10-13H2,1-2H3,(H,20,21)
InChIKeyFDRPCQMECAYODK-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.92
Rot. Bonds5

About 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide

7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide (PubChem CID 163236422) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide
PubChem CID163236422
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide
SMILESCCC1CCC2(C1)CC(C(=O)NCc1cccc(OC)c1)C2
InChIInChI=1S/C19H27NO2/c1-3-14-7-8-19(10-14)11-16(12-19)18(21)20-13-15-5-4-6-17(9-15)22-2/h4-6,9,14,16H,3,7-8,10-13H2,1-2H3,(H,20,21)
InChIKeyFDRPCQMECAYODK-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide?
The IUPAC name of 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide (CID 163236422) is 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide.
What is the SMILES notation for 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide?
The canonical SMILES for 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide is CCC1CCC2(C1)CC(C(=O)NCc1cccc(OC)c1)C2.
What is the InChIKey of 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide?
The InChIKey is FDRPCQMECAYODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-14-7-8-19(10-14)11-16(12-19)18(21)20-13-15-5-4-6-17(9-15)22-2/h4-6,9,14,16H,3,7-8,10-13H2,1-2H3,(H,20,21).
What are the key properties of 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide?
7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 163236422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).