3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea

C15H24N2O3 — CID 110601497

IUPAC3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-5-17(6-2)15(18)16-10-9-12-7-8-13(19-3)11-14(12)20-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyPWDTYJVWSPTRMR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds7

About 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea

3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea (PubChem CID 110601497) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
PubChem CID110601497
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-5-17(6-2)15(18)16-10-9-12-7-8-13(19-3)11-14(12)20-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyPWDTYJVWSPTRMR-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
[2-[2-(diethylcarbamoylamino)ethyl]phenyl]-(4-methoxyphenyl)iodanium
CID 62707549
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea (CID 110601497) is 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCCc1ccc(OC)cc1OC.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea?
The InChIKey is PWDTYJVWSPTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17(6-2)15(18)16-10-9-12-7-8-13(19-3)11-14(12)20-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18).
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea?
3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea has a molecular weight of 280.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 110601497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).