1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea

C12H22N2O2 — CID 97076034

IUPAC1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)N[C@H]1C=CCCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,16-3)9-13-11(15)14-10-7-5-4-6-8-10/h5,7,10H,4,6,8-9H2,1-3H3,(H2,13,14,15)/t10-/m0/s1
InChIKeyNYJWQBQNHDVXPC-JTQLQIEISA-N
MW226.32 g/mol
LogP1.82
Rot. Bonds4

About 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea

1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea (PubChem CID 97076034) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
PubChem CID97076034
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)N[C@H]1C=CCCC1
InChIInChI=1S/C12H22N2O2/c1-12(2,16-3)9-13-11(15)14-10-7-5-4-6-8-10/h5,7,10H,4,6,8-9H2,1-3H3,(H2,13,14,15)/t10-/m0/s1
InChIKeyNYJWQBQNHDVXPC-JTQLQIEISA-N
XLogP1.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508607
1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide
CID 84586773
1-(2-methoxy-2-methylpropyl)-3-methylurea
CID 115660964
3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide
CID 71854072
1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
CID 127864776
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508614
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
CID 107907876
N-(2-methoxy-2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71987214

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea (CID 97076034) is 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea is COC(C)(C)CNC(=O)N[C@H]1C=CCCC1.
What is the InChIKey of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
The InChIKey is NYJWQBQNHDVXPC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,16-3)9-13-11(15)14-10-7-5-4-6-8-10/h5,7,10H,4,6,8-9H2,1-3H3,(H2,13,14,15)/t10-/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 97076034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).