1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea

C18H22F3N3O3 — CID 118775141

IUPAC1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H22F3N3O3/c1-2-27-15-6-3-12(18(19,20)21)8-14(15)23-17(26)22-9-11-7-16(25)24(10-11)13-4-5-13/h3,6,8,11,13H,2,4-5,7,9-10H2,1H3,(H2,22,23,26)
InChIKeyOTEAIJQENHBAJY-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.24
Rot. Bonds6

About 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 118775141) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
PubChem CID118775141
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H22F3N3O3/c1-2-27-15-6-3-12(18(19,20)21)8-14(15)23-17(26)22-9-11-7-16(25)24(10-11)13-4-5-13/h3,6,8,11,13H,2,4-5,7,9-10H2,1H3,(H2,22,23,26)
InChIKeyOTEAIJQENHBAJY-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,5-diethoxyphenyl)guanidine
CID 110018405
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 40913100
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea
CID 166211547
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137261
methyl 2-[4-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137260
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea (CID 118775141) is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea is CCOc1ccc(C(F)(F)F)cc1NC(=O)NCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea?
The InChIKey is OTEAIJQENHBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-2-27-15-6-3-12(18(19,20)21)8-14(15)23-17(26)22-9-11-7-16(25)24(10-11)13-4-5-13/h3,6,8,11,13H,2,4-5,7,9-10H2,1H3,(H2,22,23,26).
What are the key properties of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea?
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 385.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118775141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).