[4-[2-(dimethylamino)ethoxy]anilino]urea

C11H18N4O2 — CID 144637882

IUPAC[4-[2-(dimethylamino)ethoxy]anilino]urea
SMILESCN(C)CCOc1ccc(NNC(N)=O)cc1
InChIInChI=1S/C11H18N4O2/c1-15(2)7-8-17-10-5-3-9(4-6-10)13-14-11(12)16/h3-6,13H,7-8H2,1-2H3,(H3,12,14,16)
InChIKeyLGLVFMIMUQOKHT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.62
Rot. Bonds6

About [4-[2-(dimethylamino)ethoxy]anilino]urea

[4-[2-(dimethylamino)ethoxy]anilino]urea (PubChem CID 144637882) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]anilino]urea.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]anilino]urea
PubChem CID144637882
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name[4-[2-(dimethylamino)ethoxy]anilino]urea
SMILESCN(C)CCOc1ccc(NNC(N)=O)cc1
InChIInChI=1S/C11H18N4O2/c1-15(2)7-8-17-10-5-3-9(4-6-10)13-14-11(12)16/h3-6,13H,7-8H2,1-2H3,(H3,12,14,16)
InChIKeyLGLVFMIMUQOKHT-UHFFFAOYSA-N
XLogP0.62
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
CID 82539509
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
CID 138619746
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
CID 170473957
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]anilino]urea?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]anilino]urea (CID 144637882) is [4-[2-(dimethylamino)ethoxy]anilino]urea.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]anilino]urea?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]anilino]urea is CN(C)CCOc1ccc(NNC(N)=O)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]anilino]urea?
The InChIKey is LGLVFMIMUQOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(2)7-8-17-10-5-3-9(4-6-10)13-14-11(12)16/h3-6,13H,7-8H2,1-2H3,(H3,12,14,16).
What are the key properties of [4-[2-(dimethylamino)ethoxy]anilino]urea?
[4-[2-(dimethylamino)ethoxy]anilino]urea has a molecular weight of 238.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]anilino]urea is sourced from PubChem (CID 144637882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).