1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea

C14H19N3O4 — CID 110923455

IUPAC1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCC2O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-6-7-10(8-12(9)17(20)21)15-14(19)16-11-4-2-3-5-13(11)18/h6-8,11,13,18H,2-5H2,1H3,(H2,15,16,19)
InChIKeyATQVRIMSFDOXNM-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.33
Rot. Bonds3

About 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea

1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea (PubChem CID 110923455) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea
PubChem CID110923455
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCC2O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-6-7-10(8-12(9)17(20)21)15-14(19)16-11-4-2-3-5-13(11)18/h6-8,11,13,18H,2-5H2,1H3,(H2,15,16,19)
InChIKeyATQVRIMSFDOXNM-UHFFFAOYSA-N
XLogP2.33
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 8890661
1-cyclopropyl-3-(4-methyl-3-nitrophenyl)thiourea
CID 7942249
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
4-[(1S,2R)-2-hydroxycyclopentyl]-N-(4-methyl-3-nitrophenyl)piperazine-1-carboxamide
CID 95151678
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(4-methyl-3-nitrophenyl)urea
CID 47034684
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
1-(4-bromo-3-nitrophenyl)-3-cyclohexylurea
CID 115766145
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
1-(4-methyl-3-nitrophenyl)-3-pyrimidin-2-ylurea
CID 5072186
1-N-(4-methyl-3-nitrophenyl)cyclopentane-1,2-diamine
CID 63252271

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea (CID 110923455) is 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea is Cc1ccc(NC(=O)NC2CCCCC2O)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea?
The InChIKey is ATQVRIMSFDOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-6-7-10(8-12(9)17(20)21)15-14(19)16-11-4-2-3-5-13(11)18/h6-8,11,13,18H,2-5H2,1H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea?
1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea has a molecular weight of 293.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea is sourced from PubChem (CID 110923455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).