[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate

C31H29NO4 — CID 59801354

IUPAC[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(N(c2ccc(COC(C)=O)cc2)c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C31H29NO4/c1-22-4-10-27(11-5-22)28-12-18-31(19-13-28)32(29-14-6-25(7-15-29)20-35-23(2)33)30-16-8-26(9-17-30)21-36-24(3)34/h4-19H,20-21H2,1-3H3
InChIKeyXXFFKOHZYFHQBU-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.26
Rot. Bonds8

About [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate

[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate (PubChem CID 59801354) has the molecular formula C31H29NO4 and a molecular weight of 479.58 g/mol. Its IUPAC name is [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
PubChem CID59801354
Molecular FormulaC31H29NO4
Molecular Weight479.58 g/mol
Exact Mass479.21
IUPAC Name[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(N(c2ccc(COC(C)=O)cc2)c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C31H29NO4/c1-22-4-10-27(11-5-22)28-12-18-31(19-13-28)32(29-14-6-25(7-15-29)20-35-23(2)33)30-16-8-26(9-17-30)21-36-24(3)34/h4-19H,20-21H2,1-3H3
InChIKeyXXFFKOHZYFHQBU-UHFFFAOYSA-N
XLogP7.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate 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-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(N-[4-[4-(acetyloxymethyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]methyl acetate
CID 14669999
[4-[4-(acetyloxymethyl)-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino]phenyl]methyl acetate
CID 59801352
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl acetate
CID 70808950
methyl formate;(4-methylphenyl)methyl acetate
CID 143607807
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
6-[[4-(N-[4-[4-(N-[4-(6-hydroxyhexoxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methoxy]hexan-1-ol
CID 68881964
(4-fluorophenyl)methyl acetate
CID 14793785

Frequently Asked Questions

What is the IUPAC name of [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate?
The IUPAC name of [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate (CID 59801354) is [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate.
What is the SMILES notation for [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate?
The canonical SMILES for [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate is CC(=O)OCc1ccc(N(c2ccc(COC(C)=O)cc2)c2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate?
The InChIKey is XXFFKOHZYFHQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO4/c1-22-4-10-27(11-5-22)28-12-18-31(19-13-28)32(29-14-6-25(7-15-29)20-35-23(2)33)30-16-8-26(9-17-30)21-36-24(3)34/h4-19H,20-21H2,1-3H3.
What are the key properties of [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate?
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate has a molecular weight of 479.58 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate is sourced from PubChem (CID 59801354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).