4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide

C20H24N2O2 — CID 934598

IUPAC4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-18-10-6-16(7-11-18)20(12-2-3-13-20)14-22-19(23)15-4-8-17(21)9-5-15/h4-11H,2-3,12-14,21H2,1H3,(H,22,23)
InChIKeyWFEXDVSOBRERLM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.52
Rot. Bonds5

About 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide

4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide (PubChem CID 934598) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide
PubChem CID934598
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-18-10-6-16(7-11-18)20(12-2-3-13-20)14-22-19(23)15-4-8-17(21)9-5-15/h4-11H,2-3,12-14,21H2,1H3,(H,22,23)
InChIKeyWFEXDVSOBRERLM-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide (CID 934598) is 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCCC2)cc1.
What is the InChIKey of 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide?
The InChIKey is WFEXDVSOBRERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-18-10-6-16(7-11-18)20(12-2-3-13-20)14-22-19(23)15-4-8-17(21)9-5-15/h4-11H,2-3,12-14,21H2,1H3,(H,22,23).
What are the key properties of 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide?
4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 934598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).