4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid

C15H22N2O4 — CID 89492843

IUPAC4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid
SMILESCC(C)(C)NC(=O)Nc1ccccc1OCCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)17-14(20)16-11-7-4-5-8-12(11)21-10-6-9-13(18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPEIUPMCFZAQWEC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds6

About 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid

4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid (PubChem CID 89492843) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid
PubChem CID89492843
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid
SMILESCC(C)(C)NC(=O)Nc1ccccc1OCCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)17-14(20)16-11-7-4-5-8-12(11)21-10-6-9-13(18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPEIUPMCFZAQWEC-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-butoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122077360
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
1,3-bis(2-butoxyphenyl)urea
CID 17170447
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364
4-[[2-(cyclopropylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085443
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid?
The IUPAC name of 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid (CID 89492843) is 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid.
What is the SMILES notation for 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid?
The canonical SMILES for 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid is CC(C)(C)NC(=O)Nc1ccccc1OCCCC(=O)O.
What is the InChIKey of 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid?
The InChIKey is PEIUPMCFZAQWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)17-14(20)16-11-7-4-5-8-12(11)21-10-6-9-13(18)19/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid?
4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid is sourced from PubChem (CID 89492843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).