3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea

C13H24N2O2 — CID 75441330

IUPAC3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea
SMILESCCOCCN(C)C(=O)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O2/c1-3-17-10-9-15(2)13(16)14-11-12-7-5-4-6-8-12/h4-5,12H,3,6-11H2,1-2H3,(H,14,16)
InChIKeyMRYOAWHWJDXZBT-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.02
Rot. Bonds6

About 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea

3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea (PubChem CID 75441330) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea
PubChem CID75441330
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea
SMILESCCOCCN(C)C(=O)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O2/c1-3-17-10-9-15(2)13(16)14-11-12-7-5-4-6-8-12/h4-5,12H,3,6-11H2,1-2H3,(H,14,16)
InChIKeyMRYOAWHWJDXZBT-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
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

3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
CID 99823111
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide
CID 60591653
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
1-butyl-3-(cyclopentylmethyl)-1-methylurea
CID 108902611
2-[cyclohex-3-en-1-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 63064057
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
CID 166214843
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
CID 97240049
N-(2-ethoxyethyl)-N-methyl-3-(methylamino)propanamide
CID 81058236
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea (CID 75441330) is 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea is CCOCCN(C)C(=O)NCC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea?
The InChIKey is MRYOAWHWJDXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-10-9-15(2)13(16)14-11-12-7-5-4-6-8-12/h4-5,12H,3,6-11H2,1-2H3,(H,14,16).
What are the key properties of 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea?
3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea has a molecular weight of 240.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethyl)-1-(2-ethoxyethyl)-1-methylurea is sourced from PubChem (CID 75441330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).