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

C21H25NO3 — CID 100551991

IUPACN-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25NO3/c1-24-18-11-5-6-12-19(18)25-16-15-22-20(23)21(13-7-8-14-21)17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,23)
InChIKeyXFUIIYFJBVSAIH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.70
Rot. Bonds7

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

N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 100551991) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID100551991
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCOc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H25NO3/c1-24-18-11-5-6-12-19(18)25-16-15-22-20(23)21(13-7-8-14-21)17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,23)
InChIKeyXFUIIYFJBVSAIH-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide (CID 100551991) is N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide is COc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is XFUIIYFJBVSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-18-11-5-6-12-19(18)25-16-15-22-20(23)21(13-7-8-14-21)17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,23).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide?
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).