[(2-methyl-1-phenylpropylidene)amino]urea

C11H15N3O — CID 73200660

IUPAC[(2-methyl-1-phenylpropylidene)amino]urea
SMILESCC(C)C(=NNC(N)=O)c1ccccc1
InChIInChI=1S/C11H15N3O/c1-8(2)10(13-14-11(12)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,12,14,15)
InChIKeyULGIBZXNAXDABZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.72
Rot. Bonds3

About [(2-methyl-1-phenylpropylidene)amino]urea

[(2-methyl-1-phenylpropylidene)amino]urea (PubChem CID 73200660) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [(2-methyl-1-phenylpropylidene)amino]urea.

Molecular Properties

Compound Name[(2-methyl-1-phenylpropylidene)amino]urea
PubChem CID73200660
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[(2-methyl-1-phenylpropylidene)amino]urea
SMILESCC(C)C(=NNC(N)=O)c1ccccc1
InChIInChI=1S/C11H15N3O/c1-8(2)10(13-14-11(12)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,12,14,15)
InChIKeyULGIBZXNAXDABZ-UHFFFAOYSA-N
XLogP1.72
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-2-piperidin-1-ium-1-ylacetamide
CID 8022870
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
CID 134884255
2-(2,3-dimethylphenoxy)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17343902
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 6538181

Frequently Asked Questions

What is the IUPAC name of [(2-methyl-1-phenylpropylidene)amino]urea?
The IUPAC name of [(2-methyl-1-phenylpropylidene)amino]urea (CID 73200660) is [(2-methyl-1-phenylpropylidene)amino]urea.
What is the SMILES notation for [(2-methyl-1-phenylpropylidene)amino]urea?
The canonical SMILES for [(2-methyl-1-phenylpropylidene)amino]urea is CC(C)C(=NNC(N)=O)c1ccccc1.
What is the InChIKey of [(2-methyl-1-phenylpropylidene)amino]urea?
The InChIKey is ULGIBZXNAXDABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)10(13-14-11(12)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,12,14,15).
What are the key properties of [(2-methyl-1-phenylpropylidene)amino]urea?
[(2-methyl-1-phenylpropylidene)amino]urea has a molecular weight of 205.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-1-phenylpropylidene)amino]urea is sourced from PubChem (CID 73200660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).