1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea

C17H23F3N2O2 — CID 86994280

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCCCOCC1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-12(14-5-7-15(8-6-14)17(18,19)20)22-16(23)21-9-2-10-24-11-13-3-4-13/h5-8,12-13H,2-4,9-11H2,1H3,(H2,21,22,23)
InChIKeyPDVXVVOEPBQLLM-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.88
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 86994280) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID86994280
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCCCOCC1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-12(14-5-7-15(8-6-14)17(18,19)20)22-16(23)21-9-2-10-24-11-13-3-4-13/h5-8,12-13H,2-4,9-11H2,1H3,(H2,21,22,23)
InChIKeyPDVXVVOEPBQLLM-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]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-[1-(4-bromophenyl)ethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 42954303
1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024080
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]butanoic acid
CID 103994493
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
4-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122011640
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 86994280) is 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NCCCOCC1CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is PDVXVVOEPBQLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12(14-5-7-15(8-6-14)17(18,19)20)22-16(23)21-9-2-10-24-11-13-3-4-13/h5-8,12-13H,2-4,9-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 86994280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).