1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea

C18H26N2O2 — CID 86769510

IUPAC1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
SMILESC=C(C)CN(CC)C(=O)NCC1CCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-20(13-14(2)3)18(21)19-12-16-10-11-22-17(16)15-8-6-5-7-9-15/h5-9,16-17H,2,4,10-13H2,1,3H3,(H,19,21)
InChIKeyTUCIGJFBSOWRCJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.37
Rot. Bonds6

About 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea

1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea (PubChem CID 86769510) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
PubChem CID86769510
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
SMILESC=C(C)CN(CC)C(=O)NCC1CCOC1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-20(13-14(2)3)18(21)19-12-16-10-11-22-17(16)15-8-6-5-7-9-15/h5-9,16-17H,2,4,10-13H2,1,3H3,(H,19,21)
InChIKeyTUCIGJFBSOWRCJ-UHFFFAOYSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.37
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

Piperidine-1-carboxamide, 7a
CID 44143374
Piperidine-1-carboxamide, 7b
CID 44143375
Piperidine-1-carboxamide, 7h
CID 44143381
(R)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)-3-((R)-(3-methoxypropoxy)(phenyl)methyl)piperidine-1-carboxamide
CID 52945945
3-[(4-benzhydryloxypiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 155518933
3-(Benzyloxy)-N-cyclopentylpyrrolidine-1-carboxamide
CID 124072649
N-ethyl-3-[(4-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 42682764
N-ethyl-3-[(2-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 46153747
1-(4-Hydroxy-2,2-dimethylpentyl)-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71869795
1-(2-Cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
CID 75444523
1-[2-(3,4-Difluorophenyl)oxolan-3-yl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 75444953
1-(2-Methyloxolan-3-yl)-3-(2-phenyloxan-4-yl)urea
CID 75523421

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea (CID 86769510) is 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea is C=C(C)CN(CC)C(=O)NCC1CCOC1c1ccccc1.
What is the InChIKey of 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
The InChIKey is TUCIGJFBSOWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-20(13-14(2)3)18(21)19-12-16-10-11-22-17(16)15-8-6-5-7-9-15/h5-9,16-17H,2,4,10-13H2,1,3H3,(H,19,21).
What are the key properties of 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea?
1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylprop-2-enyl)-3-[(2-phenyloxolan-3-yl)methyl]urea is sourced from PubChem (CID 86769510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).