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

C19H23ClN2O3 — CID 11674961

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O3/c1-22(2)13-12-18(14-4-6-15(20)7-5-14)25-19(23)21-16-8-10-17(24-3)11-9-16/h4-11,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyJGEPIEFNRYBGEJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.59
Rot. Bonds7

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

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate (PubChem CID 11674961) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate
PubChem CID11674961
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O3/c1-22(2)13-12-18(14-4-6-15(20)7-5-14)25-19(23)21-16-8-10-17(24-3)11-9-16/h4-11,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyJGEPIEFNRYBGEJ-UHFFFAOYSA-N
XLogP4.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.59
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-methoxyphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate (CID 11674961) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate?
The InChIKey is JGEPIEFNRYBGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-22(2)13-12-18(14-4-6-15(20)7-5-14)25-19(23)21-16-8-10-17(24-3)11-9-16/h4-11,18H,12-13H2,1-3H3,(H,21,23).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-methoxyphenyl)carbamate has a molecular weight of 362.86 g/mol, XLogP of 4.59, 7 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-methoxyphenyl)carbamate is sourced from PubChem (CID 11674961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).