1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea

C20H27N3O2 — CID 86989236

IUPAC1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
SMILESCOCc1ccccc1NC(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-23(2)18-12-10-16(11-13-18)7-6-14-21-20(24)22-19-9-5-4-8-17(19)15-25-3/h4-5,8-13H,6-7,14-15H2,1-3H3,(H2,21,22,24)
InChIKeyKEVSKEGLLLVRAI-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.65
Rot. Bonds8

About 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea

1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea (PubChem CID 86989236) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
PubChem CID86989236
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
SMILESCOCc1ccccc1NC(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-23(2)18-12-10-16(11-13-18)7-6-14-21-20(24)22-19-9-5-4-8-17(19)15-25-3/h4-5,8-13H,6-7,14-15H2,1-3H3,(H2,21,22,24)
InChIKeyKEVSKEGLLLVRAI-UHFFFAOYSA-N
XLogP3.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924358
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea?
The IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea (CID 86989236) is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea?
The canonical SMILES for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea is COCc1ccccc1NC(=O)NCCCc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea?
The InChIKey is KEVSKEGLLLVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(2)18-12-10-16(11-13-18)7-6-14-21-20(24)22-19-9-5-4-8-17(19)15-25-3/h4-5,8-13H,6-7,14-15H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea?
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea is sourced from PubChem (CID 86989236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).