1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea

C19H32N2O2 — CID 5215461

IUPAC1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea
SMILESO=C(NC1CCCO1)N(CC1CC=CCC1)CC1CCCCC1
InChIInChI=1S/C19H32N2O2/c22-19(20-18-12-7-13-23-18)21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1,3,16-18H,2,4-15H2,(H,20,22)
InChIKeyGLSAFCWACNLYPB-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.07
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea

1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea (PubChem CID 5215461) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea
PubChem CID5215461
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea
SMILESO=C(NC1CCCO1)N(CC1CC=CCC1)CC1CCCCC1
InChIInChI=1S/C19H32N2O2/c22-19(20-18-12-7-13-23-18)21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1,3,16-18H,2,4-15H2,(H,20,22)
InChIKeyGLSAFCWACNLYPB-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea
CID 5005496
3-[cyclohex-3-ene-1-carbonyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209691
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
1-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-ylmethyl)-3-pyridin-3-ylthiourea
CID 17370487
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 29080135
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978
N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 86911274
cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
4-[[(1R)-cyclohex-3-en-1-yl]methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzoic acid
CID 1083177
[3-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethoxy]phenyl]phosphonic acid
CID 40561038
1-(2-aminoethyl)-3-(oxolan-2-yl)urea
CID 117234856

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea (CID 5215461) is 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea is O=C(NC1CCCO1)N(CC1CC=CCC1)CC1CCCCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea?
The InChIKey is GLSAFCWACNLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c22-19(20-18-12-7-13-23-18)21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1,3,16-18H,2,4-15H2,(H,20,22).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea?
1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea has a molecular weight of 320.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 5215461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).