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

C19H23ClN2O3 — CID 11626617

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3/c1-22(2)12-11-18(14-7-9-15(20)10-8-14)25-19(23)21-16-5-4-6-17(13-16)24-3/h4-10,13,18H,11-12H2,1-3H3,(H,21,23)
InChIKeyDVOLCAAFHLSTNK-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.59
Rot. Bonds7

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

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate (PubChem CID 11626617) 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-(3-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate
PubChem CID11626617
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3/c1-22(2)12-11-18(14-7-9-15(20)10-8-14)25-19(23)21-16-5-4-6-17(13-16)24-3/h4-10,13,18H,11-12H2,1-3H3,(H,21,23)
InChIKeyDVOLCAAFHLSTNK-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-(3-methoxyphenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate (CID 11626617) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate is COc1cccc(NC(=O)OC(CCN(C)C)c2ccc(Cl)cc2)c1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate?
The InChIKey is DVOLCAAFHLSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-22(2)12-11-18(14-7-9-15(20)10-8-14)25-19(23)21-16-5-4-6-17(13-16)24-3/h4-10,13,18H,11-12H2,1-3H3,(H,21,23).
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-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-(3-methoxyphenyl)carbamate is sourced from PubChem (CID 11626617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).