[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea

C12H17N3O — CID 121013846

IUPAC[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
SMILESCc1ccc(C(C)C)cc1/C=N/NC(N)=O
InChIInChI=1S/C12H17N3O/c1-8(2)10-5-4-9(3)11(6-10)7-14-15-12(13)16/h4-8H,1-3H3,(H3,13,15,16)/b14-7+
InChIKeyWKMSXUWVWUCHHU-VGOFMYFVSA-N
MW219.29 g/mol
LogP2.12
Rot. Bonds3

About [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea

[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea (PubChem CID 121013846) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
PubChem CID121013846
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
SMILESCc1ccc(C(C)C)cc1/C=N/NC(N)=O
InChIInChI=1S/C12H17N3O/c1-8(2)10-5-4-9(3)11(6-10)7-14-15-12(13)16/h4-8H,1-3H3,(H3,13,15,16)/b14-7+
InChIKeyWKMSXUWVWUCHHU-VGOFMYFVSA-N
XLogP2.12
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.12
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'}

Analyze [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
CID 129213458
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(2,4-difluoro-5-methylphenyl)methylideneamino]urea
CID 168532545
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 135455074
[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
CID 878182
[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea
CID 6287661
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea?
The IUPAC name of [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea (CID 121013846) is [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea is Cc1ccc(C(C)C)cc1/C=N/NC(N)=O.
What is the InChIKey of [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea?
The InChIKey is WKMSXUWVWUCHHU-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)10-5-4-9(3)11(6-10)7-14-15-12(13)16/h4-8H,1-3H3,(H3,13,15,16)/b14-7+.
What are the key properties of [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea?
[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea has a molecular weight of 219.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea is sourced from PubChem (CID 121013846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).