(4-anilino-2-methylphenyl) 2-methylprop-2-enoate

C17H17NO2 — CID 21326582

IUPAC(4-anilino-2-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(Nc2ccccc2)cc1C
InChIInChI=1S/C17H17NO2/c1-12(2)17(19)20-16-10-9-15(11-13(16)3)18-14-7-5-4-6-8-14/h4-11,18H,1H2,2-3H3
InChIKeyTXMZCFYNKWYSAH-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.22
Rot. Bonds4

About (4-anilino-2-methylphenyl) 2-methylprop-2-enoate

(4-anilino-2-methylphenyl) 2-methylprop-2-enoate (PubChem CID 21326582) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4-anilino-2-methylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-anilino-2-methylphenyl) 2-methylprop-2-enoate
PubChem CID21326582
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(4-anilino-2-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(Nc2ccccc2)cc1C
InChIInChI=1S/C17H17NO2/c1-12(2)17(19)20-16-10-9-15(11-13(16)3)18-14-7-5-4-6-8-14/h4-11,18H,1H2,2-3H3
InChIKeyTXMZCFYNKWYSAH-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-anilino-2-methylphenyl) 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-methoxy-3-methyl-N-phenylaniline
CID 23635969
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
CID 59739252
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
CID 160689388
4-methyl-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 174180010
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
diethyl oxalate;N-phenylaniline
CID 174415380
4-anilino-2,6-dimethylphenol
CID 25129480
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-methylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-anilino-2-methylphenyl) 2-methylprop-2-enoate (CID 21326582) is (4-anilino-2-methylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-anilino-2-methylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-anilino-2-methylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(Nc2ccccc2)cc1C.
What is the InChIKey of (4-anilino-2-methylphenyl) 2-methylprop-2-enoate?
The InChIKey is TXMZCFYNKWYSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(2)17(19)20-16-10-9-15(11-13(16)3)18-14-7-5-4-6-8-14/h4-11,18H,1H2,2-3H3.
What are the key properties of (4-anilino-2-methylphenyl) 2-methylprop-2-enoate?
(4-anilino-2-methylphenyl) 2-methylprop-2-enoate has a molecular weight of 267.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-methylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 21326582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).