3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea

C18H26N2O3 — CID 97223766

IUPAC3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
SMILESCN(C[C@H](O)C1CC1)C(=O)NCc1ccccc1OC1CCC1
InChIInChI=1S/C18H26N2O3/c1-20(12-16(21)13-9-10-13)18(22)19-11-14-5-2-3-8-17(14)23-15-6-4-7-15/h2-3,5,8,13,15-16,21H,4,6-7,9-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyJQBRAQRHQREZCE-INIZCTEOSA-N
MW318.42 g/mol
LogP2.53
Rot. Bonds7

About 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea

3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea (PubChem CID 97223766) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
PubChem CID97223766
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
SMILESCN(C[C@H](O)C1CC1)C(=O)NCc1ccccc1OC1CCC1
InChIInChI=1S/C18H26N2O3/c1-20(12-16(21)13-9-10-13)18(22)19-11-14-5-2-3-8-17(14)23-15-6-4-7-15/h2-3,5,8,13,15-16,21H,4,6-7,9-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyJQBRAQRHQREZCE-INIZCTEOSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013047
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646
(2S)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119796181
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 110012924

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea?
The IUPAC name of 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea (CID 97223766) is 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea.
What is the SMILES notation for 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea?
The canonical SMILES for 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea is CN(C[C@H](O)C1CC1)C(=O)NCc1ccccc1OC1CCC1.
What is the InChIKey of 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea?
The InChIKey is JQBRAQRHQREZCE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(12-16(21)13-9-10-13)18(22)19-11-14-5-2-3-8-17(14)23-15-6-4-7-15/h2-3,5,8,13,15-16,21H,4,6-7,9-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea?
3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea has a molecular weight of 318.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea is sourced from PubChem (CID 97223766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).