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

C20H26FN3O — CID 47081834

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
SMILESCN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H26FN3O/c1-23(2)14-15-24(13-7-10-17-8-4-3-5-9-17)20(25)22-19-12-6-11-18(21)16-19/h3-6,8-9,11-12,16H,7,10,13-15H2,1-2H3,(H,22,25)
InChIKeyDFUMKVZHTNTLKH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.85
Rot. Bonds8

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

1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea (PubChem CID 47081834) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
PubChem CID47081834
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
SMILESCN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H26FN3O/c1-23(2)14-15-24(13-7-10-17-8-4-3-5-9-17)20(25)22-19-12-6-11-18(21)16-19/h3-6,8-9,11-12,16H,7,10,13-15H2,1-2H3,(H,22,25)
InChIKeyDFUMKVZHTNTLKH-UHFFFAOYSA-N
XLogP3.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea
CID 47081849
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
CID 60609367
N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
CID 7541549
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-benzyl-3-(3-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 1057646
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029827
2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 134064922
4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide
CID 11361035
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea (CID 47081834) is 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea is CN(C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea?
The InChIKey is DFUMKVZHTNTLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-23(2)14-15-24(13-7-10-17-8-4-3-5-9-17)20(25)22-19-12-6-11-18(21)16-19/h3-6,8-9,11-12,16H,7,10,13-15H2,1-2H3,(H,22,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea?
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea has a molecular weight of 343.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea is sourced from PubChem (CID 47081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).