1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea

C21H30N2O2 — CID 124623277

IUPAC1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea
SMILESC=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C21H30N2O2/c1-4-6-16-7-5-8-18(14(2)3)20(16)23-21(24)22-17-11-12-25-19(13-17)15-9-10-15/h4-5,7-8,14-15,17,19H,1,6,9-13H2,2-3H3,(H2,22,23,24)/t17-,19-/m1/s1
InChIKeyVVPBSAZPLBORDX-IEBWSBKVSA-N
MW342.48 g/mol
LogP4.62
Rot. Bonds6

About 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea

1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea (PubChem CID 124623277) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea.

Molecular Properties

Compound Name1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea
PubChem CID124623277
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea
SMILESC=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C21H30N2O2/c1-4-6-16-7-5-8-18(14(2)3)20(16)23-21(24)22-17-11-12-25-19(13-17)15-9-10-15/h4-5,7-8,14-15,17,19H,1,6,9-13H2,2-3H3,(H2,22,23,24)/t17-,19-/m1/s1
InChIKeyVVPBSAZPLBORDX-IEBWSBKVSA-N
XLogP4.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.62
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

4-[(2-propan-2-yl-6-prop-2-enylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091259
1-(2-propan-2-yl-6-prop-2-enylphenyl)-3-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]urea
CID 124733221
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959
(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide
CID 124886358
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
CID 19935050
1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
CID 75507899
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139278
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide
CID 154756403

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea?
The IUPAC name of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea (CID 124623277) is 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea.
What is the SMILES notation for 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea?
The canonical SMILES for 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea is C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1.
What is the InChIKey of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea?
The InChIKey is VVPBSAZPLBORDX-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-4-6-16-7-5-8-18(14(2)3)20(16)23-21(24)22-17-11-12-25-19(13-17)15-9-10-15/h4-5,7-8,14-15,17,19H,1,6,9-13H2,2-3H3,(H2,22,23,24)/t17-,19-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea?
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea has a molecular weight of 342.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-propan-2-yl-6-prop-2-enylphenyl)urea is sourced from PubChem (CID 124623277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).