1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea

C18H28N2O3 — CID 111631492

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
SMILESCOc1ccccc1CC(NC(=O)NCC1(O)CCC1)C(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)15(11-14-7-4-5-8-16(14)23-3)20-17(21)19-12-18(22)9-6-10-18/h4-5,7-8,13,15,22H,6,9-12H2,1-3H3,(H2,19,20,21)
InChIKeyUGJLAGWAHWALFY-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.48
Rot. Bonds7

About 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea

1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea (PubChem CID 111631492) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
PubChem CID111631492
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
SMILESCOc1ccccc1CC(NC(=O)NCC1(O)CCC1)C(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)15(11-14-7-4-5-8-16(14)23-3)20-17(21)19-12-18(22)9-6-10-18/h4-5,7-8,13,15,22H,6,9-12H2,1-3H3,(H2,19,20,21)
InChIKeyUGJLAGWAHWALFY-UHFFFAOYSA-N
XLogP2.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631495
1-(3-hydroxybutyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631499
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119813108
N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 96525041
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 119813115
(2S)-2-(hydroxymethyl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 111631491
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 111331235
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea (CID 111631492) is 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea is COc1ccccc1CC(NC(=O)NCC1(O)CCC1)C(C)C.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea?
The InChIKey is UGJLAGWAHWALFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)15(11-14-7-4-5-8-16(14)23-3)20-17(21)19-12-18(22)9-6-10-18/h4-5,7-8,13,15,22H,6,9-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 111631492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).