N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide

C20H23NO2 — CID 100543641

IUPACN-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCCOc1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H23NO2/c22-19(21-15-16-23-18-11-5-2-6-12-18)20(13-7-8-14-20)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,21,22)
InChIKeyCWLPFEYEDXZYSB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.69
Rot. Bonds6

About N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide

N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 100543641) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID100543641
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCCOc1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H23NO2/c22-19(21-15-16-23-18-11-5-2-6-12-18)20(13-7-8-14-20)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,21,22)
InChIKeyCWLPFEYEDXZYSB-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119684516
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
CID 39630901
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-(2-hydroxyethyl)-1-(4-propoxyphenyl)cyclopentane-1-carboxamide
CID 56692662
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide (CID 100543641) is N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide is O=C(NCCOc1ccccc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is CWLPFEYEDXZYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19(21-15-16-23-18-11-5-2-6-12-18)20(13-7-8-14-20)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2,(H,21,22).
What are the key properties of N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide?
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100543641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).