2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate

C13H18Cl2N2O2 — CID 30031

IUPAC2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
SMILESCCN(CC)CCOC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)5-6-19-13(18)16-12-8-10(14)7-11(15)9-12/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyOYFCCEIURUOVCE-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.88
Rot. Bonds6

About 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate

2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate (PubChem CID 30031) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
PubChem CID30031
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
SMILESCCN(CC)CCOC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)5-6-19-13(18)16-12-8-10(14)7-11(15)9-12/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyOYFCCEIURUOVCE-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-(2,5-dichlorophenyl)carbamate
CID 30027
2-[ethyl(heptyl)amino]ethyl N-[3-[2-[ethyl(heptyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952832
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
2-(propylamino)ethyl N-(3-chlorophenyl)carbamate
CID 79337718
2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500
2-(dimethylcarbamoylamino)ethyl N-(3-chlorophenyl)carbamate
CID 71675480

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate?
The IUPAC name of 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate (CID 30031) is 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate.
What is the SMILES notation for 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate?
The canonical SMILES for 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate is CCN(CC)CCOC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate?
The InChIKey is OYFCCEIURUOVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-3-17(4-2)5-6-19-13(18)16-12-8-10(14)7-11(15)9-12/h7-9H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate?
2-(diethylamino)ethyl N-(3,5-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-(3,5-dichlorophenyl)carbamate is sourced from PubChem (CID 30031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).