1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea

C17H23F3N2O3 — CID 146132710

IUPAC1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCCC1(C)OCCO1
InChIInChI=1S/C17H23F3N2O3/c1-12(11-13-3-5-14(6-4-13)17(18,19)20)22-15(23)21-8-7-16(2)24-9-10-25-16/h3-6,12H,7-11H2,1-2H3,(H2,21,22,23)
InChIKeyVGURCZDJSQCPEP-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.09
Rot. Bonds6

About 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea

1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 146132710) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID146132710
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCCC1(C)OCCO1
InChIInChI=1S/C17H23F3N2O3/c1-12(11-13-3-5-14(6-4-13)17(18,19)20)22-15(23)21-8-7-16(2)24-9-10-25-16/h3-6,12H,7-11H2,1-2H3,(H2,21,22,23)
InChIKeyVGURCZDJSQCPEP-UHFFFAOYSA-N
XLogP3.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea with MolForge

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Related Compounds

1-[1-(2-chloro-4-fluorophenyl)ethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75522376
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733487
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 122038148
1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97087768
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 146132710) is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCCC1(C)OCCO1.
What is the InChIKey of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is VGURCZDJSQCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-12(11-13-3-5-14(6-4-13)17(18,19)20)22-15(23)21-8-7-16(2)24-9-10-25-16/h3-6,12H,7-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 360.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 146132710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).