1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate

C24H23NO3 — CID 89169486

IUPAC1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate
SMILESCC(=O)OC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-17-4-10-22(11-5-17)25(23-12-6-20(16-26)7-13-23)24-14-8-21(9-15-24)18(2)28-19(3)27/h4-16,18H,1-3H3
InChIKeyDIOLNISOKXHWGE-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.90
Rot. Bonds6

About 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate

1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate (PubChem CID 89169486) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate
PubChem CID89169486
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate
SMILESCC(=O)OC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-17-4-10-22(11-5-17)25(23-12-6-20(16-26)7-13-23)24-14-8-21(9-15-24)18(2)28-19(3)27/h4-16,18H,1-3H3
InChIKeyDIOLNISOKXHWGE-UHFFFAOYSA-N
XLogP5.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-formylphenyl)ethyl propanoate
CID 174338308
1-(N-ethyl-4-formylanilino)propan-2-yl acetate
CID 54221384
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
1-[4-[bis(2-chloroethyl)amino]phenyl]ethyl acetate
CID 21126688
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde
CID 165354792
1-(4-fluorophenyl)ethyl acetate
CID 11286838
1-(4-methylphenyl)ethyl 2-methyl-3-oxobutanoate
CID 67302946

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate?
The IUPAC name of 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate (CID 89169486) is 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate.
What is the SMILES notation for 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate?
The canonical SMILES for 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate is CC(=O)OC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate?
The InChIKey is DIOLNISOKXHWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-17-4-10-22(11-5-17)25(23-12-6-20(16-26)7-13-23)24-14-8-21(9-15-24)18(2)28-19(3)27/h4-16,18H,1-3H3.
What are the key properties of 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate?
1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate has a molecular weight of 373.45 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate is sourced from PubChem (CID 89169486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).