1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea

C23H25F3N2O2 — CID 143825374

IUPAC1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea
SMILESC=C(NC(=O)NCC1CC1)c1cc(OCc2ccccc2)c(CC)cc1C(F)(F)F
InChIInChI=1S/C23H25F3N2O2/c1-3-18-11-20(23(24,25)26)19(15(2)28-22(29)27-13-16-9-10-16)12-21(18)30-14-17-7-5-4-6-8-17/h4-8,11-12,16H,2-3,9-10,13-14H2,1H3,(H2,27,28,29)
InChIKeyQTUNVSOUWVZOMY-UHFFFAOYSA-N
MW418.46 g/mol
LogP5.53
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea

1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea (PubChem CID 143825374) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea
PubChem CID143825374
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea
SMILESC=C(NC(=O)NCC1CC1)c1cc(OCc2ccccc2)c(CC)cc1C(F)(F)F
InChIInChI=1S/C23H25F3N2O2/c1-3-18-11-20(23(24,25)26)19(15(2)28-22(29)27-13-16-9-10-16)12-21(18)30-14-17-7-5-4-6-8-17/h4-8,11-12,16H,2-3,9-10,13-14H2,1H3,(H2,27,28,29)
InChIKeyQTUNVSOUWVZOMY-UHFFFAOYSA-N
XLogP5.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 143825452
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
N-[di(propan-2-yl)carbamoyl]-4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 70261926
5-acetyl-2-phenylmethoxy-4-(trifluoromethyl)benzonitrile
CID 91864212
1-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]butane-1,3-dione
CID 90811092
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
2-bromo-1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone;1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 158418562
1-cyclopentyl-2-phenylmethoxy-4-propyl-5-(trifluoromethyl)benzene
CID 91241088
N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 63319851

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea (CID 143825374) is 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea is C=C(NC(=O)NCC1CC1)c1cc(OCc2ccccc2)c(CC)cc1C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea?
The InChIKey is QTUNVSOUWVZOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-3-18-11-20(23(24,25)26)19(15(2)28-22(29)27-13-16-9-10-16)12-21(18)30-14-17-7-5-4-6-8-17/h4-8,11-12,16H,2-3,9-10,13-14H2,1H3,(H2,27,28,29).
What are the key properties of 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea?
1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea has a molecular weight of 418.46 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea is sourced from PubChem (CID 143825374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).