[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate

C22H23ClN2O2 — CID 11653844

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-25(2)14-13-21(17-7-10-19(23)11-8-17)27-22(26)24-20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21H,13-14H2,1-2H3,(H,24,26)
InChIKeyGXQJQNWMBOMTME-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.73
Rot. Bonds6

About [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate (PubChem CID 11653844) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate
PubChem CID11653844
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate
SMILESCN(C)CCC(OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-25(2)14-13-21(17-7-10-19(23)11-8-17)27-22(26)24-20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21H,13-14H2,1-2H3,(H,24,26)
InChIKeyGXQJQNWMBOMTME-UHFFFAOYSA-N
XLogP5.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.73
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-naphthalen-2-ylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate (CID 11653844) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate is CN(C)CCC(OC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate?
The InChIKey is GXQJQNWMBOMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-25(2)14-13-21(17-7-10-19(23)11-8-17)27-22(26)24-20-12-9-16-5-3-4-6-18(16)15-20/h3-12,15,21H,13-14H2,1-2H3,(H,24,26).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate has a molecular weight of 382.89 g/mol, XLogP of 5.73, 6 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-naphthalen-2-ylcarbamate is sourced from PubChem (CID 11653844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).