1-(butan-2-ylideneamino)-3-phenylurea

C11H15N3O — CID 904424

IUPAC1-(butan-2-ylideneamino)-3-phenylurea
SMILESCCC(C)=NNC(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O/c1-3-9(2)13-14-11(15)12-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14,15)
InChIKeyYLNRLBFWMZTQQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.59
Rot. Bonds3

About 1-(butan-2-ylideneamino)-3-phenylurea

1-(butan-2-ylideneamino)-3-phenylurea (PubChem CID 904424) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(butan-2-ylideneamino)-3-phenylurea.

Molecular Properties

Compound Name1-(butan-2-ylideneamino)-3-phenylurea
PubChem CID904424
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(butan-2-ylideneamino)-3-phenylurea
SMILESCCC(C)=NNC(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O/c1-3-9(2)13-14-11(15)12-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14,15)
InChIKeyYLNRLBFWMZTQQP-UHFFFAOYSA-N
XLogP2.59
TPSA53.49 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 ≤ 52.59
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'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
1-methyl-3-phenylurea;propane
CID 142949663
1-[(E)-butan-2-ylideneamino]-3-methylurea
CID 55220205
nitrous acid;N-phenylacetamide
CID 174797407
1-[(E)-4-(4-hydroxy-3-methoxyphenyl)butan-2-ylideneamino]-3-phenylurea
CID 139088473
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylideneamino)-3-phenylurea?
The IUPAC name of 1-(butan-2-ylideneamino)-3-phenylurea (CID 904424) is 1-(butan-2-ylideneamino)-3-phenylurea.
What is the SMILES notation for 1-(butan-2-ylideneamino)-3-phenylurea?
The canonical SMILES for 1-(butan-2-ylideneamino)-3-phenylurea is CCC(C)=NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(butan-2-ylideneamino)-3-phenylurea?
The InChIKey is YLNRLBFWMZTQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-9(2)13-14-11(15)12-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-(butan-2-ylideneamino)-3-phenylurea?
1-(butan-2-ylideneamino)-3-phenylurea has a molecular weight of 205.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylideneamino)-3-phenylurea is sourced from PubChem (CID 904424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).