1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea

C13H19N3O2 — CID 2495861

IUPAC1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
SMILESCc1ccc(C=NNC(=O)NC2CCCCC2)o1
InChIInChI=1S/C13H19N3O2/c1-10-7-8-12(18-10)9-14-16-13(17)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,15,16,17)
InChIKeyKVKZMMMEADXVGP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.55
Rot. Bonds3

About 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea

1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea (PubChem CID 2495861) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
PubChem CID2495861
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
SMILESCc1ccc(C=NNC(=O)NC2CCCCC2)o1
InChIInChI=1S/C13H19N3O2/c1-10-7-8-12(18-10)9-14-16-13(17)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,15,16,17)
InChIKeyKVKZMMMEADXVGP-UHFFFAOYSA-N
XLogP2.55
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide
CID 75212226
1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
CID 2407544
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
(1S,6S,7R)-1-methyl-N-[(5-methylfuran-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 124865604
1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]urea
CID 2467512
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea (CID 2495861) is 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea is Cc1ccc(C=NNC(=O)NC2CCCCC2)o1.
What is the InChIKey of 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea?
The InChIKey is KVKZMMMEADXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-7-8-12(18-10)9-14-16-13(17)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea?
1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea has a molecular weight of 249.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 2495861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).