1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea

C16H24N2O2 — CID 47034652

IUPAC1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
SMILESCC1CCCCC1OCCNC(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13-7-5-6-10-15(13)20-12-11-17-16(19)18-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyXVCUEJKUHHGCGU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.40
Rot. Bonds5

About 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea

1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea (PubChem CID 47034652) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
PubChem CID47034652
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
SMILESCC1CCCCC1OCCNC(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13-7-5-6-10-15(13)20-12-11-17-16(19)18-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,17,18,19)
InChIKeyXVCUEJKUHHGCGU-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-[(1S,2S)-2-methylcyclohexyl]oxyethylcarbamoylamino]-N-phenylbenzamide
CID 52519000
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide
CID 124727206
N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 47034767
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116378
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(4-methyl-3-nitrophenyl)urea
CID 47034684
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946446
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416
2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 51948594
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 94080026

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea (CID 47034652) is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea is CC1CCCCC1OCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea?
The InChIKey is XVCUEJKUHHGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-5-6-10-15(13)20-12-11-17-16(19)18-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea?
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea has a molecular weight of 276.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea is sourced from PubChem (CID 47034652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).