[1-(4-amino-3-methylphenyl)propylideneamino]urea

C11H16N4O — CID 130155098

IUPAC[1-(4-amino-3-methylphenyl)propylideneamino]urea
SMILESCCC(=NNC(N)=O)c1ccc(N)c(C)c1
InChIInChI=1S/C11H16N4O/c1-3-10(14-15-11(13)16)8-4-5-9(12)7(2)6-8/h4-6H,3,12H2,1-2H3,(H3,13,15,16)
InChIKeyZPUCZDJRGIFCJL-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.36
Rot. Bonds3

About [1-(4-amino-3-methylphenyl)propylideneamino]urea

[1-(4-amino-3-methylphenyl)propylideneamino]urea (PubChem CID 130155098) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [1-(4-amino-3-methylphenyl)propylideneamino]urea.

Molecular Properties

Compound Name[1-(4-amino-3-methylphenyl)propylideneamino]urea
PubChem CID130155098
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[1-(4-amino-3-methylphenyl)propylideneamino]urea
SMILESCCC(=NNC(N)=O)c1ccc(N)c(C)c1
InChIInChI=1S/C11H16N4O/c1-3-10(14-15-11(13)16)8-4-5-9(12)7(2)6-8/h4-6H,3,12H2,1-2H3,(H3,13,15,16)
InChIKeyZPUCZDJRGIFCJL-UHFFFAOYSA-N
XLogP1.36
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

[1-(4-hydroxy-3-methylphenyl)propylideneamino]urea
CID 4087123
[(Z)-1-(2-methylphenyl)propylideneamino]urea
CID 121218183
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
CID 6056563
4-amino-3-methyl-N-oxobenzamide
CID 89119624
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
[(E)-1-(3-aminophenyl)propylideneamino]thiourea
CID 25234550

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-3-methylphenyl)propylideneamino]urea?
The IUPAC name of [1-(4-amino-3-methylphenyl)propylideneamino]urea (CID 130155098) is [1-(4-amino-3-methylphenyl)propylideneamino]urea.
What is the SMILES notation for [1-(4-amino-3-methylphenyl)propylideneamino]urea?
The canonical SMILES for [1-(4-amino-3-methylphenyl)propylideneamino]urea is CCC(=NNC(N)=O)c1ccc(N)c(C)c1.
What is the InChIKey of [1-(4-amino-3-methylphenyl)propylideneamino]urea?
The InChIKey is ZPUCZDJRGIFCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-10(14-15-11(13)16)8-4-5-9(12)7(2)6-8/h4-6H,3,12H2,1-2H3,(H3,13,15,16).
What are the key properties of [1-(4-amino-3-methylphenyl)propylideneamino]urea?
[1-(4-amino-3-methylphenyl)propylideneamino]urea has a molecular weight of 220.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-3-methylphenyl)propylideneamino]urea is sourced from PubChem (CID 130155098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).