1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea

C18H21N3O2 — CID 75405456

IUPAC1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
SMILESO=C(NCc1ccco1)NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(19-13-17-7-4-12-23-17)21-20-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H2,19,21,22)/b20-16-
InChIKeyITDFMNYTCNTWFT-SILNSSARSA-N
MW311.39 g/mol
LogP3.79
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea

1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea (PubChem CID 75405456) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
PubChem CID75405456
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
SMILESO=C(NCc1ccco1)NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(19-13-17-7-4-12-23-17)21-20-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H2,19,21,22)/b20-16-
InChIKeyITDFMNYTCNTWFT-SILNSSARSA-N
XLogP3.79
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.79
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

N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159946
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686
N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 9352884
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
CID 17337814
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea (CID 75405456) is 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea is O=C(NCc1ccco1)NN=C1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea?
The InChIKey is ITDFMNYTCNTWFT-SILNSSARSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(19-13-17-7-4-12-23-17)21-20-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H2,19,21,22)/b20-16-.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea?
1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea has a molecular weight of 311.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea is sourced from PubChem (CID 75405456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).