N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide

C16H23NO2 — CID 2919123

IUPACN-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-3-19-15-10-8-13(9-11-15)12(2)17-16(18)14-6-4-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyPGIDAWQMAJOYQJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.45
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide

N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 2919123) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide
PubChem CID2919123
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-3-19-15-10-8-13(9-11-15)12(2)17-16(18)14-6-4-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyPGIDAWQMAJOYQJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide (CID 2919123) is N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide is CCOc1ccc(C(C)NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is PGIDAWQMAJOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15-10-8-13(9-11-15)12(2)17-16(18)14-6-4-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide?
N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 2919123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).