1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C19H28N4O3 — CID 51116378

IUPAC1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCC1CCCCC1OCCNC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H28N4O3/c1-14-5-2-3-8-17(14)26-12-10-20-18(24)22-15-6-4-7-16(13-15)23-11-9-21-19(23)25/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3,(H,21,25)(H2,20,22,24)
InChIKeyTXNIUHZRCZUDJS-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.93
Rot. Bonds6

About 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 51116378) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID51116378
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCC1CCCCC1OCCNC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H28N4O3/c1-14-5-2-3-8-17(14)26-12-10-20-18(24)22-15-6-4-7-16(13-15)23-11-9-21-19(23)25/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3,(H,21,25)(H2,20,22,24)
InChIKeyTXNIUHZRCZUDJS-UHFFFAOYSA-N
XLogP2.93
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946446
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 47034767
N-methyl-3-[2-[(1S,2S)-2-methylcyclohexyl]oxyethylcarbamoylamino]-N-phenylbenzamide
CID 52519000
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55719787
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 94123689
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738130
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(4-methyl-3-nitrophenyl)urea
CID 47034684
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 51116378) is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is CC1CCCCC1OCCNC(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is TXNIUHZRCZUDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14-5-2-3-8-17(14)26-12-10-20-18(24)22-15-6-4-7-16(13-15)23-11-9-21-19(23)25/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3,(H,21,25)(H2,20,22,24).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 360.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 51116378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).