1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide

C20H23NO2 — CID 46891349

IUPAC1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)c3ccccc3)CCCC2)cc1
InChIInChI=1S/C20H23NO2/c1-21(17-8-4-3-5-9-17)19(22)20(14-6-7-15-20)16-10-12-18(23-2)13-11-16/h3-5,8-13H,6-7,14-15H2,1-2H3
InChIKeyWSWLKQOWBACIES-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide (PubChem CID 46891349) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide
PubChem CID46891349
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)c3ccccc3)CCCC2)cc1
InChIInChI=1S/C20H23NO2/c1-21(17-8-4-3-5-9-17)19(22)20(14-6-7-15-20)16-10-12-18(23-2)13-11-16/h3-5,8-13H,6-7,14-15H2,1-2H3
InChIKeyWSWLKQOWBACIES-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide (CID 46891349) is 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N(C)c3ccccc3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide?
The InChIKey is WSWLKQOWBACIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21(17-8-4-3-5-9-17)19(22)20(14-6-7-15-20)16-10-12-18(23-2)13-11-16/h3-5,8-13H,6-7,14-15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide?
1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 46891349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).