3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride

C16H28ClN3O2 — CID 3025282

IUPAC3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride
SMILESCCN(CC)CCNC(=O)N(C)CCOc1ccccc1.Cl
InChIInChI=1S/C16H27N3O2.ClH/c1-4-19(5-2)12-11-17-16(20)18(3)13-14-21-15-9-7-6-8-10-15;/h6-10H,4-5,11-14H2,1-3H3,(H,17,20);1H
InChIKeyXVHORLAPWXVEOT-UHFFFAOYSA-N
MW329.87 g/mol
LogP2.47
Rot. Bonds9

About 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride

3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride (PubChem CID 3025282) has the molecular formula C16H28ClN3O2 and a molecular weight of 329.87 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride
PubChem CID3025282
Molecular FormulaC16H28ClN3O2
Molecular Weight329.87 g/mol
Exact Mass329.19
IUPAC Name3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride
SMILESCCN(CC)CCNC(=O)N(C)CCOc1ccccc1.Cl
InChIInChI=1S/C16H27N3O2.ClH/c1-4-19(5-2)12-11-17-16(20)18(3)13-14-21-15-9-7-6-8-10-15;/h6-10H,4-5,11-14H2,1-3H3,(H,17,20);1H
InChIKeyXVHORLAPWXVEOT-UHFFFAOYSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride?
The IUPAC name of 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride (CID 3025282) is 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride is CCN(CC)CCNC(=O)N(C)CCOc1ccccc1.Cl.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride?
The InChIKey is XVHORLAPWXVEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.ClH/c1-4-19(5-2)12-11-17-16(20)18(3)13-14-21-15-9-7-6-8-10-15;/h6-10H,4-5,11-14H2,1-3H3,(H,17,20);1H.
What are the key properties of 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride?
3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-1-methyl-1-(2-phenoxyethyl)urea;hydrochloride is sourced from PubChem (CID 3025282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).