1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea

C18H32N2O3 — CID 97080306

IUPAC1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea
SMILESO=C(NCCCOC[C@@H]1CCOC1)N[C@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C18H32N2O3/c21-18(19-8-4-9-22-12-14-7-10-23-13-14)20-17-11-16(17)15-5-2-1-3-6-15/h14-17H,1-13H2,(H2,19,20,21)/t14-,16-,17-/m0/s1
InChIKeyVSELFXUSIJNXFR-XIRDDKMYSA-N
MW324.47 g/mol
LogP2.70
Rot. Bonds8

About 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea

1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea (PubChem CID 97080306) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea
PubChem CID97080306
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea
SMILESO=C(NCCCOC[C@@H]1CCOC1)N[C@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C18H32N2O3/c21-18(19-8-4-9-22-12-14-7-10-23-13-14)20-17-11-16(17)15-5-2-1-3-6-15/h14-17H,1-13H2,(H2,19,20,21)/t14-,16-,17-/m0/s1
InChIKeyVSELFXUSIJNXFR-XIRDDKMYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea with MolForge

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Related Compounds

1-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-[3-(cyclopropylmethoxy)propyl]urea
CID 97068596
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630411
4-[3-(oxan-4-ylmethoxy)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023417
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
CID 120501461
N-[3-(oxolan-3-ylmethoxy)propyl]-1,3-dihydroisoindole-2-carboxamide
CID 75422050
2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818632
1-(3-methoxypropyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647528
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
CID 119800069
4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
CID 95635259
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647514
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea?
The IUPAC name of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea (CID 97080306) is 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea?
The canonical SMILES for 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea is O=C(NCCCOC[C@@H]1CCOC1)N[C@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea?
The InChIKey is VSELFXUSIJNXFR-XIRDDKMYSA-N. The full InChI is InChI=1S/C18H32N2O3/c21-18(19-8-4-9-22-12-14-7-10-23-13-14)20-17-11-16(17)15-5-2-1-3-6-15/h14-17H,1-13H2,(H2,19,20,21)/t14-,16-,17-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea?
1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea has a molecular weight of 324.47 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]urea is sourced from PubChem (CID 97080306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).