[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate

C23H23NO2 — CID 45257419

IUPAC[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)(c1ccccc1)c1cccc(N(C)C)c1
InChIInChI=1S/C23H23NO2/c1-18(25)26-23(19-11-6-4-7-12-19,20-13-8-5-9-14-20)21-15-10-16-22(17-21)24(2)3/h4-17H,1-3H3
InChIKeyDONWCGZYFYPLGD-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.61
Rot. Bonds5

About [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate

[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate (PubChem CID 45257419) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate.

Molecular Properties

Compound Name[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate
PubChem CID45257419
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)(c1ccccc1)c1cccc(N(C)C)c1
InChIInChI=1S/C23H23NO2/c1-18(25)26-23(19-11-6-4-7-12-19,20-13-8-5-9-14-20)21-15-10-16-22(17-21)24(2)3/h4-17H,1-3H3
InChIKeyDONWCGZYFYPLGD-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [[3-(dimethylamino)phenyl]-diphenylmethyl] 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

bis[bis[4-(dimethylamino)phenyl]-phenylmethyl] oxalate
CID 139713541
[(3,5-dimethoxyphenyl)-diphenylmethyl] acetate
CID 46190086
3-(1,1-diphenylethyl)-N,N-dimethylaniline
CID 91281199
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
O-trityl ethanethioate
CID 3057355
3-[[3-(dimethylamino)phenyl]-(4-methoxyphenyl)-(3-phenylpropoxy)methyl]-N,N-dimethylaniline
CID 53469286
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
cyclohexanol;[cyclohexyloxy(diphenyl)methyl]benzene;trityl acetate
CID 157240030
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
ditrityl but-2-enedioate
CID 54115376

Frequently Asked Questions

What is the IUPAC name of [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate?
The IUPAC name of [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate (CID 45257419) is [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate.
What is the SMILES notation for [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate?
The canonical SMILES for [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate is CC(=O)OC(c1ccccc1)(c1ccccc1)c1cccc(N(C)C)c1.
What is the InChIKey of [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate?
The InChIKey is DONWCGZYFYPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-18(25)26-23(19-11-6-4-7-12-19,20-13-8-5-9-14-20)21-15-10-16-22(17-21)24(2)3/h4-17H,1-3H3.
What are the key properties of [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate?
[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate has a molecular weight of 345.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(dimethylamino)phenyl]-diphenylmethyl] acetate is sourced from PubChem (CID 45257419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).