2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C18H25NO4 — CID 120974527

IUPAC2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(OCCNC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C18H25NO4/c1-18(2,3)12-4-6-13(7-5-12)23-11-10-19-16(20)14-8-9-15(14)17(21)22/h4-7,14-15H,8-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHVNVCKRMXZRELM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974527) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974527
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(OCCNC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C18H25NO4/c1-18(2,3)12-4-6-13(7-5-12)23-11-10-19-16(20)14-8-9-15(14)17(21)22/h4-7,14-15H,8-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHVNVCKRMXZRELM-UHFFFAOYSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976904
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22687528
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974527) is 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid is CC(C)(C)c1ccc(OCCNC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is HVNVCKRMXZRELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)12-4-6-13(7-5-12)23-11-10-19-16(20)14-8-9-15(14)17(21)22/h4-7,14-15H,8-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).