N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide

C14H19NO2 — CID 113099100

IUPACN-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
SMILESCc1ccccc1OCCNC(=O)C1CCC1
InChIInChI=1S/C14H19NO2/c1-11-5-2-3-8-13(11)17-10-9-15-14(16)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,15,16)
InChIKeySKYCZXRKKRNPTE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide

N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide (PubChem CID 113099100) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
PubChem CID113099100
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
SMILESCc1ccccc1OCCNC(=O)C1CCC1
InChIInChI=1S/C14H19NO2/c1-11-5-2-3-8-13(11)17-10-9-15-14(16)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,15,16)
InChIKeySKYCZXRKKRNPTE-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
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

3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 98879211
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide (CID 113099100) is N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide is Cc1ccccc1OCCNC(=O)C1CCC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide?
The InChIKey is SKYCZXRKKRNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-2-3-8-13(11)17-10-9-15-14(16)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide?
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.29, 5 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]cyclobutanecarboxamide is sourced from PubChem (CID 113099100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).