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

C24H25ClN2O3 — CID 11531958

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3/c1-27(2)17-16-23(18-8-10-19(25)11-9-18)30-24(28)26-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyNBEAQJZBEVDDEU-UHFFFAOYSA-N
MW424.93 g/mol
LogP6.37
Rot. Bonds8

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

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate (PubChem CID 11531958) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate
PubChem CID11531958
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3/c1-27(2)17-16-23(18-8-10-19(25)11-9-18)30-24(28)26-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyNBEAQJZBEVDDEU-UHFFFAOYSA-N
XLogP6.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate (CID 11531958) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate is CN(C)CCC(OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate?
The InChIKey is NBEAQJZBEVDDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-27(2)17-16-23(18-8-10-19(25)11-9-18)30-24(28)26-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate has a molecular weight of 424.93 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate is sourced from PubChem (CID 11531958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).