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

C18H26N2O2 — CID 110012926

IUPAC1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-17(15-9-10-15)12-19-18(22)20-16(11-13-5-4-6-13)14-7-2-1-3-8-14/h1-3,7-8,13,15-17,21H,4-6,9-12H2,(H2,19,20,22)
InChIKeyVFBOVSUOBPADEF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.99
Rot. Bonds7

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

1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 110012926) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID110012926
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-17(15-9-10-15)12-19-18(22)20-16(11-13-5-4-6-13)14-7-2-1-3-8-14/h1-3,7-8,13,15-17,21H,4-6,9-12H2,(H2,19,20,22)
InChIKeyVFBOVSUOBPADEF-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110012921
3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 110012924
1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea
CID 110012908
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
CID 125444168
(3S)-4-cyclobutyl-3-phenylbutanoic acid
CID 165405443
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 110012926) is 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CC1)NC(CC1CCC1)c1ccccc1.
What is the InChIKey of 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is VFBOVSUOBPADEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(15-9-10-15)12-19-18(22)20-16(11-13-5-4-6-13)14-7-2-1-3-8-14/h1-3,7-8,13,15-17,21H,4-6,9-12H2,(H2,19,20,22).
What are the key properties of 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 302.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-1-phenylethyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 110012926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).