1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea

C19H21F3N2O3 — CID 60580823

IUPAC1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCOc1ccc(OCCCNC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-26-16-6-8-17(9-7-16)27-11-3-10-23-18(25)24-13-14-4-2-5-15(12-14)19(20,21)22/h2,4-9,12H,3,10-11,13H2,1H3,(H2,23,24,25)
InChIKeyAZLJOQHMKDUFFU-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.98
Rot. Bonds8

About 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea

1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 60580823) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID60580823
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCOc1ccc(OCCCNC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-26-16-6-8-17(9-7-16)27-11-3-10-23-18(25)24-13-14-4-2-5-15(12-14)19(20,21)22/h2,4-9,12H,3,10-11,13H2,1H3,(H2,23,24,25)
InChIKeyAZLJOQHMKDUFFU-UHFFFAOYSA-N
XLogP3.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543843
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
1-[(4-methoxyphenyl)methyl]-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90575999
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 60580823) is 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea is COc1ccc(OCCCNC(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is AZLJOQHMKDUFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-26-16-6-8-17(9-7-16)27-11-3-10-23-18(25)24-13-14-4-2-5-15(12-14)19(20,21)22/h2,4-9,12H,3,10-11,13H2,1H3,(H2,23,24,25).
What are the key properties of 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 382.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 60580823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).