[4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate

C27H27NO4 — CID 58090188

IUPAC[4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(N(c2ccc(COC(=O)CC)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C27H27NO4/c1-5-26(29)31-18-21-9-11-22(12-10-21)28(24-8-6-7-20(4)17-24)23-13-15-25(16-14-23)32-27(30)19(2)3/h6-17H,2,5,18H2,1,3-4H3
InChIKeyNCUDQXQGSDNIFF-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.40
Rot. Bonds8

About [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate

[4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate (PubChem CID 58090188) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate
PubChem CID58090188
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name[4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(N(c2ccc(COC(=O)CC)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C27H27NO4/c1-5-26(29)31-18-21-9-11-22(12-10-21)28(24-8-6-7-20(4)17-24)23-13-15-25(16-14-23)32-27(30)19(2)3/h6-17H,2,5,18H2,1,3-4H3
InChIKeyNCUDQXQGSDNIFF-UHFFFAOYSA-N
XLogP6.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate
CID 59832740
[4-[N-(3,4-dimethylphenyl)-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59392120
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[4-[4-(N-phenylanilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800606
[3-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl] propanoate
CID 58701251
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
[4-[4-(4-methyl-N-[4-[5-[4-(4-methyl-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58520185
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614

Frequently Asked Questions

What is the IUPAC name of [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate (CID 58090188) is [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(N(c2ccc(COC(=O)CC)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate?
The InChIKey is NCUDQXQGSDNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c1-5-26(29)31-18-21-9-11-22(12-10-21)28(24-8-6-7-20(4)17-24)23-13-15-25(16-14-23)32-27(30)19(2)3/h6-17H,2,5,18H2,1,3-4H3.
What are the key properties of [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate?
[4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate has a molecular weight of 429.52 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-(3-methylphenyl)-4-(propanoyloxymethyl)anilino]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58090188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).