2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate

C13H18Cl2N2O2 — CID 30027

IUPAC2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
SMILESCCN(CC)CCOC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)7-8-19-13(18)16-12-9-10(14)5-6-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyQAYKGISUAWAQAY-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.88
Rot. Bonds6

About 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate

2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate (PubChem CID 30027) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
PubChem CID30027
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
SMILESCCN(CC)CCOC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)7-8-19-13(18)16-12-9-10(14)5-6-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyQAYKGISUAWAQAY-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
CID 30031
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
2-bromoethyl N-(2,4-dichlorophenyl)carbamate
CID 4092025
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
3-(diethylamino)propyl 2,5-dichlorobenzoate
CID 3027468
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
1-(3-bromopropyl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 106441565

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate (CID 30027) is 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate is CCN(CC)CCOC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate?
The InChIKey is QAYKGISUAWAQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)7-8-19-13(18)16-12-9-10(14)5-6-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate?
2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate has a molecular weight of 305.20 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 30027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).