1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C20H23F3N2O2 — CID 78886119

IUPAC1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H23F3N2O2/c1-4-25(14(2)16-6-5-7-18(12-16)27-3)19(26)24-13-15-8-10-17(11-9-15)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26)
InChIKeyPMLQZQHCFXVDSF-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.01
Rot. Bonds6

About 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 78886119) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID78886119
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H23F3N2O2/c1-4-25(14(2)16-6-5-7-18(12-16)27-3)19(26)24-13-15-8-10-17(11-9-15)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26)
InChIKeyPMLQZQHCFXVDSF-UHFFFAOYSA-N
XLogP5.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94138885
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 78886119) is 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C(C)c1cccc(OC)c1.
What is the InChIKey of 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is PMLQZQHCFXVDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-4-25(14(2)16-6-5-7-18(12-16)27-3)19(26)24-13-15-8-10-17(11-9-15)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26).
What are the key properties of 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 380.41 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 78886119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).