2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid

C23H29NO4 — CID 72975664

IUPAC2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid
SMILESCC(=NOCCCOc1ccc(CC(=O)O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29NO4/c1-17(19-8-10-20(11-9-19)23(2,3)4)24-28-15-5-14-27-21-12-6-18(7-13-21)16-22(25)26/h6-13H,5,14-16H2,1-4H3,(H,25,26)
InChIKeyCDIRRKOIULJCJY-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.82
Rot. Bonds9

About 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid

2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid (PubChem CID 72975664) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid
PubChem CID72975664
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid
SMILESCC(=NOCCCOc1ccc(CC(=O)O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29NO4/c1-17(19-8-10-20(11-9-19)23(2,3)4)24-28-15-5-14-27-21-12-6-18(7-13-21)16-22(25)26/h6-13H,5,14-16H2,1-4H3,(H,25,26)
InChIKeyCDIRRKOIULJCJY-UHFFFAOYSA-N
XLogP4.82
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
CID 58663104
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
N-[1-amino-1-[3-(4-tert-butylphenoxy)propoxyimino]-2-methylpropan-2-yl]acetamide
CID 72691658
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-(4-tert-butylphenoxy)-3-[4-[2-[1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]propanoic acid
CID 72749227
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
4-[4-(4-tert-butylphenyl)-4,4-dihydroxybutoxy]benzoic acid
CID 57156927
2-[4-[2-[[(1S)-1-(6-amino-3-pyridinyl)-1-hydroxyethyl]amino]ethoxy]phenyl]acetic acid
CID 67581075
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679
4-hydroxy-5-[[4-[3-[(E)-1-(4-phenylphenyl)ethylideneamino]oxypropoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91931263
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid (CID 72975664) is 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid is CC(=NOCCCOc1ccc(CC(=O)O)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid?
The InChIKey is CDIRRKOIULJCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17(19-8-10-20(11-9-19)23(2,3)4)24-28-15-5-14-27-21-12-6-18(7-13-21)16-22(25)26/h6-13H,5,14-16H2,1-4H3,(H,25,26).
What are the key properties of 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid?
2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid has a molecular weight of 383.49 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid is sourced from PubChem (CID 72975664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).