[(E)-(2-methyl-3-phenylpropylidene)amino]urea

C11H15N3O — CID 121221650

IUPAC[(E)-(2-methyl-3-phenylpropylidene)amino]urea
SMILESCC(/C=N/NC(N)=O)Cc1ccccc1
InChIInChI=1S/C11H15N3O/c1-9(8-13-14-11(12)15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H3,12,14,15)/b13-8+
InChIKeyWZPSDQCWFGQYCG-MDWZMJQESA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds4

About [(E)-(2-methyl-3-phenylpropylidene)amino]urea

[(E)-(2-methyl-3-phenylpropylidene)amino]urea (PubChem CID 121221650) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [(E)-(2-methyl-3-phenylpropylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(2-methyl-3-phenylpropylidene)amino]urea
PubChem CID121221650
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[(E)-(2-methyl-3-phenylpropylidene)amino]urea
SMILESCC(/C=N/NC(N)=O)Cc1ccccc1
InChIInChI=1S/C11H15N3O/c1-9(8-13-14-11(12)15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H3,12,14,15)/b13-8+
InChIKeyWZPSDQCWFGQYCG-MDWZMJQESA-N
XLogP1.52
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.52
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

[(E)-(2-amino-3-phenylpropylidene)amino]urea;hydrochloride
CID 24838835
N-(2-methyl-3-phenylpropylidene)hydroxylamine
CID 88518263
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(1E,2S)-1-(carbamoylhydrazinylidene)-5-(diaminomethylideneamino)pentan-2-yl]-3-methylbutanamide
CID 10073020
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(1E,2S)-1-(carbamoylhydrazinylidene)-5-(diaminomethylideneamino)pentan-2-yl]-4-methylpentanamide
CID 10006801
[(E)-benzylideneamino]urea
CID 6861419
2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(3R)-2,3-dimethyl-4-phenylbutanamide
CID 140571501
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-benzyl-N'-(2-methylpropylideneamino)butanediamide
CID 4924753

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methyl-3-phenylpropylidene)amino]urea?
The IUPAC name of [(E)-(2-methyl-3-phenylpropylidene)amino]urea (CID 121221650) is [(E)-(2-methyl-3-phenylpropylidene)amino]urea.
What is the SMILES notation for [(E)-(2-methyl-3-phenylpropylidene)amino]urea?
The canonical SMILES for [(E)-(2-methyl-3-phenylpropylidene)amino]urea is CC(/C=N/NC(N)=O)Cc1ccccc1.
What is the InChIKey of [(E)-(2-methyl-3-phenylpropylidene)amino]urea?
The InChIKey is WZPSDQCWFGQYCG-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(8-13-14-11(12)15)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H3,12,14,15)/b13-8+.
What are the key properties of [(E)-(2-methyl-3-phenylpropylidene)amino]urea?
[(E)-(2-methyl-3-phenylpropylidene)amino]urea has a molecular weight of 205.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methyl-3-phenylpropylidene)amino]urea is sourced from PubChem (CID 121221650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).