[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea

C12H18N4O2 — CID 135614438

IUPAC[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N/NC(N)=O)c(O)c1
InChIInChI=1S/C12H18N4O2/c1-3-16(4-2)10-6-5-9(11(17)7-10)8-14-15-12(13)18/h5-8,17H,3-4H2,1-2H3,(H3,13,15,18)/b14-8+
InChIKeyPLNCSBAFXHUSOO-RIYZIHGNSA-N
MW250.30 g/mol
LogP1.24
Rot. Bonds5

About [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea

[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea (PubChem CID 135614438) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
PubChem CID135614438
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N/NC(N)=O)c(O)c1
InChIInChI=1S/C12H18N4O2/c1-3-16(4-2)10-6-5-9(11(17)7-10)8-14-15-12(13)18/h5-8,17H,3-4H2,1-2H3,(H3,13,15,18)/b14-8+
InChIKeyPLNCSBAFXHUSOO-RIYZIHGNSA-N
XLogP1.24
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 135433199
5-(Diethylamino)-2-({[4-(diethylamino)phenyl]imino}methyl)phenol
CID 692801
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-5-(diethylamino)phenol
CID 135449202
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174
Benzylidenehydrazine derivative, 13
CID 135922678
5-(Diethylamino)-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol
CID 794739
N'-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]ethoxycarbohydrazide
CID 135401245
5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135401271
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
1-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]-3-methylthiourea
CID 135519865
5-(diethylamino)-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135521597

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea (CID 135614438) is [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea is CCN(CC)c1ccc(/C=N/NC(N)=O)c(O)c1.
What is the InChIKey of [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
The InChIKey is PLNCSBAFXHUSOO-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-16(4-2)10-6-5-9(11(17)7-10)8-14-15-12(13)18/h5-8,17H,3-4H2,1-2H3,(H3,13,15,18)/b14-8+.
What are the key properties of [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea has a molecular weight of 250.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea is sourced from PubChem (CID 135614438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).