N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide

C13H17NO3 — CID 8935452

IUPACN-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-4-6-12(7-5-11)17-9-8-14-13(15)10-2-3-10/h4-7,10H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWNGPRTHTXQPXMT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide

N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide (PubChem CID 8935452) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
PubChem CID8935452
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-4-6-12(7-5-11)17-9-8-14-13(15)10-2-3-10/h4-7,10H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWNGPRTHTXQPXMT-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
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

4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
1-[2-(4-methoxyphenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046333
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005371
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide (CID 8935452) is N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide is COc1ccc(OCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide?
The InChIKey is WNGPRTHTXQPXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-4-6-12(7-5-11)17-9-8-14-13(15)10-2-3-10/h4-7,10H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide?
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 8935452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).