1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea

C18H28N4O2 — CID 135607524

IUPAC1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N/NC(=O)NC2CCCCC2)c(O)c1
InChIInChI=1S/C18H28N4O2/c1-3-22(4-2)16-11-10-14(17(23)12-16)13-19-21-18(24)20-15-8-6-5-7-9-15/h10-13,15,23H,3-9H2,1-2H3,(H2,20,21,24)/b19-13+
InChIKeyFPXSXTXPKPAIOR-CPNJWEJPSA-N
MW332.45 g/mol
LogP3.20
Rot. Bonds6

About 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea

1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea (PubChem CID 135607524) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
PubChem CID135607524
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N/NC(=O)NC2CCCCC2)c(O)c1
InChIInChI=1S/C18H28N4O2/c1-3-22(4-2)16-11-10-14(17(23)12-16)13-19-21-18(24)20-15-8-6-5-7-9-15/h10-13,15,23H,3-9H2,1-2H3,(H2,20,21,24)/b19-13+
InChIKeyFPXSXTXPKPAIOR-CPNJWEJPSA-N
XLogP3.20
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.20
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
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
Benzylidenehydrazine derivative, 13
CID 135922678
N'-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]ethoxycarbohydrazide
CID 135401245
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
2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135521623
1-benzyl-3-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135521626
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-phenylthiourea
CID 135560362
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 145978256
5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135614214

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea (CID 135607524) is 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea is CCN(CC)c1ccc(/C=N/NC(=O)NC2CCCCC2)c(O)c1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
The InChIKey is FPXSXTXPKPAIOR-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-22(4-2)16-11-10-14(17(23)12-16)13-19-21-18(24)20-15-8-6-5-7-9-15/h10-13,15,23H,3-9H2,1-2H3,(H2,20,21,24)/b19-13+.
What are the key properties of 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea?
1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea has a molecular weight of 332.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]urea is sourced from PubChem (CID 135607524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).