4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

C20H27NO3 — CID 146623442

IUPAC4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(C23CCC(C(=O)NC4CCOCC4)(CC2)C3)cc1
InChIInChI=1S/C20H27NO3/c1-23-17-4-2-15(3-5-17)19-8-10-20(14-19,11-9-19)18(22)21-16-6-12-24-13-7-16/h2-5,16H,6-14H2,1H3,(H,21,22)
InChIKeyLADMZDNEEWTFCI-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.19
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 146623442) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID146623442
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(C23CCC(C(=O)NC4CCOCC4)(CC2)C3)cc1
InChIInChI=1S/C20H27NO3/c1-23-17-4-2-15(3-5-17)19-8-10-20(14-19,11-9-19)18(22)21-16-6-12-24-13-7-16/h2-5,16H,6-14H2,1H3,(H,21,22)
InChIKeyLADMZDNEEWTFCI-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide (CID 146623442) is 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide is COc1ccc(C23CCC(C(=O)NC4CCOCC4)(CC2)C3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LADMZDNEEWTFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-23-17-4-2-15(3-5-17)19-8-10-20(14-19,11-9-19)18(22)21-16-6-12-24-13-7-16/h2-5,16H,6-14H2,1H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 146623442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).