1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea

C15H23N3O — CID 11623077

IUPAC1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea
SMILESC/C(CC(C)C)=N\NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H23N3O/c1-10(2)9-13(5)17-18-15(19)16-14-11(3)7-6-8-12(14)4/h6-8,10H,9H2,1-5H3,(H2,16,18,19)/b17-13+
InChIKeyHPFGXMZRVBXTRN-GHRIWEEISA-N
MW261.37 g/mol
LogP3.85
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea

1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea (PubChem CID 11623077) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea
PubChem CID11623077
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea
SMILESC/C(CC(C)C)=N\NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H23N3O/c1-10(2)9-13(5)17-18-15(19)16-14-11(3)7-6-8-12(14)4/h6-8,10H,9H2,1-5H3,(H2,16,18,19)/b17-13+
InChIKeyHPFGXMZRVBXTRN-GHRIWEEISA-N
XLogP3.85
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.85
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

1-[bis(ethylsulfonyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 155671019
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
N-(2,6-dimethylphenyl)-4-methyl-2-(methylamino)pentanamide
CID 110838096
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320
1-(2,6-dimethylphenyl)-3-[(E)-(2-methylphenyl)methylideneamino]urea
CID 77108053
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea (CID 11623077) is 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea is C/C(CC(C)C)=N\NC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea?
The InChIKey is HPFGXMZRVBXTRN-GHRIWEEISA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)9-13(5)17-18-15(19)16-14-11(3)7-6-8-12(14)4/h6-8,10H,9H2,1-5H3,(H2,16,18,19)/b17-13+.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea?
1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea has a molecular weight of 261.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea is sourced from PubChem (CID 11623077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).