N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide

C14H19NO2 — CID 844159

IUPACN-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-13-8-6-11(7-9-13)10-15-14(16)12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16)
InChIKeyZYUUTRPXZHRTBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide

N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 844159) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID844159
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-13-8-6-11(7-9-13)10-15-14(16)12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16)
InChIKeyZYUUTRPXZHRTBC-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide (CID 844159) is N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide is COc1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is ZYUUTRPXZHRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13-8-6-11(7-9-13)10-15-14(16)12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide?
N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 844159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).