1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea

C18H26N2O2 — CID 110012921

IUPAC1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-17(19-13-18(22)10-5-11-18)20-16(12-14-6-4-7-14)15-8-2-1-3-9-15/h1-3,8-9,14,16,22H,4-7,10-13H2,(H2,19,20,21)
InChIKeyCDQDJOVCTUKXQY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.13
Rot. Bonds6

About 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea

1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 110012921) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID110012921
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-17(19-13-18(22)10-5-11-18)20-16(12-14-6-4-7-14)15-8-2-1-3-9-15/h1-3,8-9,14,16,22H,4-7,10-13H2,(H2,19,20,21)
InChIKeyCDQDJOVCTUKXQY-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
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-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
1-(2-cyclobutyl-1-phenylethyl)-3-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]urea
CID 110012908
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
(3S)-4-cyclobutyl-3-phenylbutanoic acid
CID 165405443
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 110012921) is 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1(O)CCC1)NC(CC1CCC1)c1ccccc1.
What is the InChIKey of 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is CDQDJOVCTUKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(19-13-18(22)10-5-11-18)20-16(12-14-6-4-7-14)15-8-2-1-3-9-15/h1-3,8-9,14,16,22H,4-7,10-13H2,(H2,19,20,21).
What are the key properties of 1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(2-cyclobutyl-1-phenylethyl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.13, 6 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-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 110012921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).