3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

C19H28N2O2 — CID 110012924

IUPAC3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-21(13-18(22)16-10-11-16)19(23)20-17(12-14-6-5-7-14)15-8-3-2-4-9-15/h2-4,8-9,14,16-18,22H,5-7,10-13H2,1H3,(H,20,23)
InChIKeyHZOOXVVDKMYBCE-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.33
Rot. Bonds7

About 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea

3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (PubChem CID 110012924) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
PubChem CID110012924
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-21(13-18(22)16-10-11-16)19(23)20-17(12-14-6-5-7-14)15-8-3-2-4-9-15/h2-4,8-9,14,16-18,22H,5-7,10-13H2,1H3,(H,20,23)
InChIKeyHZOOXVVDKMYBCE-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 110012926
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 75379181
1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea
CID 110012908
3-(2-bromophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859004
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97223766
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 75379330

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea (CID 110012924) is 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is CN(CC(O)C1CC1)C(=O)NC(CC1CCC1)c1ccccc1.
What is the InChIKey of 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
The InChIKey is HZOOXVVDKMYBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-21(13-18(22)16-10-11-16)19(23)20-17(12-14-6-5-7-14)15-8-3-2-4-9-15/h2-4,8-9,14,16-18,22H,5-7,10-13H2,1H3,(H,20,23).
What are the key properties of 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea?
3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea has a molecular weight of 316.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 110012924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).