1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea

C15H25N3O3 — CID 108988343

IUPAC1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O3/c1-18(2)11-4-9-16-15(19)17-10-12-21-14-7-5-13(20-3)6-8-14/h5-8H,4,9-12H2,1-3H3,(H2,16,17,19)
InChIKeyQZPVYBXOOCYYHL-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.32
Rot. Bonds9

About 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea

1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 108988343) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID108988343
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H25N3O3/c1-18(2)11-4-9-16-15(19)17-10-12-21-14-7-5-13(20-3)6-8-14/h5-8H,4,9-12H2,1-3H3,(H2,16,17,19)
InChIKeyQZPVYBXOOCYYHL-UHFFFAOYSA-N
XLogP1.32
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.32
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

1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410081
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
1-[7-(dimethylamino)heptyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410294
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 108988343) is 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)NCCCN(C)C)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is QZPVYBXOOCYYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-18(2)11-4-9-16-15(19)17-10-12-21-14-7-5-13(20-3)6-8-14/h5-8H,4,9-12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 295.38 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 108988343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).