2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C18H25NO4 — CID 120976904

IUPAC2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CCC2C(=O)O)c1
InChIInChI=1S/C18H25NO4/c1-18(2,3)12-5-4-6-13(11-12)23-10-9-19-16(20)14-7-8-15(14)17(21)22/h4-6,11,14-15H,7-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKTIQAZAGEUMDSM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976904) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976904
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CCC2C(=O)O)c1
InChIInChI=1S/C18H25NO4/c1-18(2,3)12-5-4-6-13(11-12)23-10-9-19-16(20)14-7-8-15(14)17(21)22/h4-6,11,14-15H,7-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKTIQAZAGEUMDSM-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-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974527
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
CID 113100479
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
1-[2-(3-tert-butylphenoxy)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111174535
1-[2-(3-tert-butylphenoxy)ethyl]-2-propylguanidine;hydroiodide
CID 111813091
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
trans-(1R,2R)-2-[2-(3,4-difluorophenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976904) is 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid is CC(C)(C)c1cccc(OCCNC(=O)C2CCC2C(=O)O)c1.
What is the InChIKey of 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is KTIQAZAGEUMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)12-5-4-6-13(11-12)23-10-9-19-16(20)14-7-8-15(14)17(21)22/h4-6,11,14-15H,7-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(3-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-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).