1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea

C13H24N2O2 — CID 86998860

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-17-11-10-15-13(16)14-9-8-12-6-4-3-5-7-12/h6H,2-5,7-11H2,1H3,(H2,14,15,16)
InChIKeyJVRZAQADPBOREB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.21
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea (PubChem CID 86998860) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
PubChem CID86998860
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-17-11-10-15-13(16)14-9-8-12-6-4-3-5-7-12/h6H,2-5,7-11H2,1H3,(H2,14,15,16)
InChIKeyJVRZAQADPBOREB-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-(5-methoxypentyl)urea
CID 122160040
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
CID 17112611
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60547483
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973432
methyl 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]pentanoate
CID 60591326
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
CID 111120763
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea (CID 86998860) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea is CCOCCNC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea?
The InChIKey is JVRZAQADPBOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-11-10-15-13(16)14-9-8-12-6-4-3-5-7-12/h6H,2-5,7-11H2,1H3,(H2,14,15,16).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea is sourced from PubChem (CID 86998860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).