3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea

C15H25N3O3 — CID 83112283

IUPAC3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
SMILESCOc1ccc(OC)c(C(C)NCCNC(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O3/c1-11(16-8-9-17-15(19)18(2)3)13-10-12(20-4)6-7-14(13)21-5/h6-7,10-11,16H,8-9H2,1-5H3,(H,17,19)
InChIKeyLFXWDKPAOPMAFT-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.63
Rot. Bonds7

About 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea

3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea (PubChem CID 83112283) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
PubChem CID83112283
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
SMILESCOc1ccc(OC)c(C(C)NCCNC(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O3/c1-11(16-8-9-17-15(19)18(2)3)13-10-12(20-4)6-7-14(13)21-5/h6-7,10-11,16H,8-9H2,1-5H3,(H,17,19)
InChIKeyLFXWDKPAOPMAFT-UHFFFAOYSA-N
XLogP1.63
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
3-[2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116462
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
N-[1-(2,5-dimethoxyphenyl)ethyl]hex-5-yn-1-amine
CID 103903654
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea (CID 83112283) is 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea is COc1ccc(OC)c(C(C)NCCNC(=O)N(C)C)c1.
What is the InChIKey of 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The InChIKey is LFXWDKPAOPMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(16-8-9-17-15(19)18(2)3)13-10-12(20-4)6-7-14(13)21-5/h6-7,10-11,16H,8-9H2,1-5H3,(H,17,19).
What are the key properties of 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea has a molecular weight of 295.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83112283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).