[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate

C24H25ClN2O2 — CID 11627432

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O2/c1-27(2)17-16-23(20-8-12-21(25)13-9-20)29-24(28)26-22-14-10-19(11-15-22)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyZTUXOMDHDGFDQX-UHFFFAOYSA-N
MW408.93 g/mol
LogP6.25
Rot. Bonds7

About [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate (PubChem CID 11627432) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate
PubChem CID11627432
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O2/c1-27(2)17-16-23(20-8-12-21(25)13-9-20)29-24(28)26-22-14-10-19(11-15-22)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyZTUXOMDHDGFDQX-UHFFFAOYSA-N
XLogP6.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate (CID 11627432) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate is CN(C)CCC(OC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate?
The InChIKey is ZTUXOMDHDGFDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-27(2)17-16-23(20-8-12-21(25)13-9-20)29-24(28)26-22-14-10-19(11-15-22)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate has a molecular weight of 408.93 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenylphenyl)carbamate is sourced from PubChem (CID 11627432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).