1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea

C16H20N4O3 — CID 6904289

IUPAC1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
SMILESO=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCC1
InChIInChI=1S/C16H20N4O3/c21-16(18-14-9-2-1-3-10-14)19-17-12-6-8-13-7-4-5-11-15(13)20(22)23/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,21)/b8-6+,17-12+
InChIKeySMTBUTKHBXSMTN-GBVVBBQNSA-N
MW316.36 g/mol
LogP3.23
Rot. Bonds5

About 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea

1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea (PubChem CID 6904289) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
PubChem CID6904289
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
SMILESO=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCC1
InChIInChI=1S/C16H20N4O3/c21-16(18-14-9-2-1-3-10-14)19-17-12-6-8-13-7-4-5-11-15(13)20(22)23/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,21)/b8-6+,17-12+
InChIKeySMTBUTKHBXSMTN-GBVVBBQNSA-N
XLogP3.23
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]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

1-cyclohexyl-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea
CID 6904278
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 129438856
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 7297838
1-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 6598222
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-cyclohexyl-3-(2-nitroanilino)urea
CID 4137702
N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
CID 3794109
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 9467684
4-bromo-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 8982753
(E)-N-(4-hydroxycyclohexyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43389284

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea (CID 6904289) is 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea is O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea?
The InChIKey is SMTBUTKHBXSMTN-GBVVBBQNSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(18-14-9-2-1-3-10-14)19-17-12-6-8-13-7-4-5-11-15(13)20(22)23/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,21)/b8-6+,17-12+.
What are the key properties of 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea?
1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea has a molecular weight of 316.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea is sourced from PubChem (CID 6904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).