[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea

C13H20N4O2 — CID 168532584

IUPAC[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
SMILESCN(C)CCCOc1ccccc1C=NNC(N)=O
InChIInChI=1S/C13H20N4O2/c1-17(2)8-5-9-19-12-7-4-3-6-11(12)10-15-16-13(14)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,14,16,18)
InChIKeyMVIQFEGLHGLMJM-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds7

About [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea

[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea (PubChem CID 168532584) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
PubChem CID168532584
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
SMILESCN(C)CCCOc1ccccc1C=NNC(N)=O
InChIInChI=1S/C13H20N4O2/c1-17(2)8-5-9-19-12-7-4-3-6-11(12)10-15-16-13(14)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,14,16,18)
InChIKeyMVIQFEGLHGLMJM-UHFFFAOYSA-N
XLogP1.02
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-[3-(4-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3572601
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 6054601
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 4998070
[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]urea
CID 168533022
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958

Frequently Asked Questions

What is the IUPAC name of [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea (CID 168532584) is [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea is CN(C)CCCOc1ccccc1C=NNC(N)=O.
What is the InChIKey of [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea?
The InChIKey is MVIQFEGLHGLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(2)8-5-9-19-12-7-4-3-6-11(12)10-15-16-13(14)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,14,16,18).
What are the key properties of [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea?
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea has a molecular weight of 264.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 168532584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).