1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea

C15H21N3O3 — CID 135676379

IUPAC1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N/NC(=O)NC2CCCCC2)c1O
InChIInChI=1S/C15H21N3O3/c1-21-13-9-5-6-11(14(13)19)10-16-18-15(20)17-12-7-3-2-4-8-12/h5-6,9-10,12,19H,2-4,7-8H2,1H3,(H2,17,18,20)/b16-10+
InChIKeyDRIIZIRKUZBYRM-MHWRWJLKSA-N
MW291.35 g/mol
LogP2.37
Rot. Bonds4

About 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea

1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea (PubChem CID 135676379) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
PubChem CID135676379
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cccc(/C=N/NC(=O)NC2CCCCC2)c1O
InChIInChI=1S/C15H21N3O3/c1-21-13-9-5-6-11(14(13)19)10-16-18-15(20)17-12-7-3-2-4-8-12/h5-6,9-10,12,19H,2-4,7-8H2,1H3,(H2,17,18,20)/b16-10+
InChIKeyDRIIZIRKUZBYRM-MHWRWJLKSA-N
XLogP2.37
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.37
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

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
2-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-6-methoxybenzoic acid
CID 16748721
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea
CID 6904466
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-(azepan-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxoacetamide
CID 136764626
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
CID 135645954
1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 3715828
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea (CID 135676379) is 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea is COc1cccc(/C=N/NC(=O)NC2CCCCC2)c1O.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The InChIKey is DRIIZIRKUZBYRM-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-9-5-6-11(14(13)19)10-16-18-15(20)17-12-7-3-2-4-8-12/h5-6,9-10,12,19H,2-4,7-8H2,1H3,(H2,17,18,20)/b16-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea?
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea has a molecular weight of 291.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135676379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).