1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

C16H17N3O2 — CID 135475861

IUPAC1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESCc1cccc(C)c1NC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H17N3O2/c1-11-6-5-7-12(2)15(11)18-16(21)19-17-10-13-8-3-4-9-14(13)20/h3-10,20H,1-2H3,(H2,18,19,21)/b17-10+
InChIKeyJNRKFHLLNSSEMT-LICLKQGHSA-N
MW283.33 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135475861) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
PubChem CID135475861
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESCc1cccc(C)c1NC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H17N3O2/c1-11-6-5-7-12(2)15(11)18-16(21)19-17-10-13-8-3-4-9-14(13)20/h3-10,20H,1-2H3,(H2,18,19,21)/b17-10+
InChIKeyJNRKFHLLNSSEMT-LICLKQGHSA-N
XLogP3.16
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydrazinecarbothioamide, 2-((2-hydroxyphenyl)methylene)-N-phenyl-
CID 135434847
2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-hydroxy-1-naphthaldehyde N-phenylsemicarbazone
CID 135437626
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
1-(2,6-dimethylphenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
CID 135675951
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135517011
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 135687152
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,1-diphenylurea
CID 136074608
1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
CID 11709164
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77108051
2-Hydroxybenzaldehyde N-phenylsemicarbazone
CID 135400609
N-[4-[[(E)-(2-hydroxyphenyl)methyleneamino]carbamoylamino]phenyl]acetamide
CID 135415566

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (CID 135475861) is 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is Cc1cccc(C)c1NC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is JNRKFHLLNSSEMT-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-6-5-7-12(2)15(11)18-16(21)19-17-10-13-8-3-4-9-14(13)20/h3-10,20H,1-2H3,(H2,18,19,21)/b17-10+.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 283.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135475861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).