1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea

C19H29FN2O3 — CID 86941191

IUPAC1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(COc1ccccc1F)C(C)(C)C)C1CCCO1
InChIInChI=1S/C19H29FN2O3/c1-13(15-10-7-11-24-15)21-18(23)22-17(19(2,3)4)12-25-16-9-6-5-8-14(16)20/h5-6,8-9,13,15,17H,7,10-12H2,1-4H3,(H2,21,22,23)
InChIKeyDRIQGULRRXMBEQ-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.49
Rot. Bonds6

About 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 86941191) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID86941191
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Name1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(COc1ccccc1F)C(C)(C)C)C1CCCO1
InChIInChI=1S/C19H29FN2O3/c1-13(15-10-7-11-24-15)21-18(23)22-17(19(2,3)4)12-25-16-9-6-5-8-14(16)20/h5-6,8-9,13,15,17H,7,10-12H2,1-4H3,(H2,21,22,23)
InChIKeyDRIQGULRRXMBEQ-UHFFFAOYSA-N
XLogP3.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

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Related Compounds

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 110893460
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86941219
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86941234
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 86941191) is 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NC(COc1ccccc1F)C(C)(C)C)C1CCCO1.
What is the InChIKey of 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is DRIQGULRRXMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-13(15-10-7-11-24-15)21-18(23)22-17(19(2,3)4)12-25-16-9-6-5-8-14(16)20/h5-6,8-9,13,15,17H,7,10-12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 352.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 86941191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).