N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide

C21H25NO2 — CID 99848155

IUPACN-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25NO2/c1-17-9-5-6-12-19(17)24-16-15-22-20(23)21(13-7-8-14-21)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,23)
InChIKeyBXWBRNKTAHYZTF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide

N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 99848155) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID99848155
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25NO2/c1-17-9-5-6-12-19(17)24-16-15-22-20(23)21(13-7-8-14-21)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,23)
InChIKeyBXWBRNKTAHYZTF-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.00
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-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
CID 39630901
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide (CID 99848155) is N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide is Cc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is BXWBRNKTAHYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-17-9-5-6-12-19(17)24-16-15-22-20(23)21(13-7-8-14-21)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,23).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 99848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).