1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea

C18H27FN2O2 — CID 110896367

IUPAC1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)CC(NC(=O)N(CCO)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)12-16(13-4-6-14(19)7-5-13)20-17(23)21(10-11-22)15-8-9-15/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,23)
InChIKeyBLOBAHQKJGSWMU-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.47
Rot. Bonds6

About 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea (PubChem CID 110896367) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
PubChem CID110896367
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
SMILESCC(C)(C)CC(NC(=O)N(CCO)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)12-16(13-4-6-14(19)7-5-13)20-17(23)21(10-11-22)15-8-9-15/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,23)
InChIKeyBLOBAHQKJGSWMU-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
3-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94117105
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 96534331
3-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 94030371
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
CID 111422968
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47044236

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea (CID 110896367) is 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea is CC(C)(C)CC(NC(=O)N(CCO)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea?
The InChIKey is BLOBAHQKJGSWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-18(2,3)12-16(13-4-6-14(19)7-5-13)20-17(23)21(10-11-22)15-8-9-15/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,23).
What are the key properties of 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea has a molecular weight of 322.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).