3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea

C21H27F2N3O2 — CID 47081849

IUPAC3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea
SMILESCN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C21H27F2N3O2/c1-25(2)14-15-26(13-7-10-17-8-4-3-5-9-17)21(27)24-18-11-6-12-19(16-18)28-20(22)23/h3-6,8-9,11-12,16,20H,7,10,13-15H2,1-2H3,(H,24,27)
InChIKeyDJHGLYHJPKNTTO-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.32
Rot. Bonds10

About 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea

3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea (PubChem CID 47081849) has the molecular formula C21H27F2N3O2 and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea
PubChem CID47081849
Molecular FormulaC21H27F2N3O2
Molecular Weight391.46 g/mol
Exact Mass391.21
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea
SMILESCN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C21H27F2N3O2/c1-25(2)14-15-26(13-7-10-17-8-4-3-5-9-17)21(27)24-18-11-6-12-19(16-18)28-20(22)23/h3-6,8-9,11-12,16,20H,7,10,13-15H2,1-2H3,(H,24,27)
InChIKeyDJHGLYHJPKNTTO-UHFFFAOYSA-N
XLogP4.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)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-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
CID 47081834
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
1-benzyl-1-(4-methoxybutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47490280
3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 51952913
1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 119044870
[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
1-benzyl-3-[4-(difluoromethoxy)phenyl]-1-[3-(dimethylamino)propyl]thiourea
CID 2531961
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
1-(anthracen-9-ylmethyl)-3-(3-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3297746

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea (CID 47081849) is 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea is CN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea?
The InChIKey is DJHGLYHJPKNTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O2/c1-25(2)14-15-26(13-7-10-17-8-4-3-5-9-17)21(27)24-18-11-6-12-19(16-18)28-20(22)23/h3-6,8-9,11-12,16,20H,7,10,13-15H2,1-2H3,(H,24,27).
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea?
3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea has a molecular weight of 391.46 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea is sourced from PubChem (CID 47081849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).