1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea

C15H22F3N3O — CID 167893298

IUPAC1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
SMILESCN(C)C(CNC(=O)NCCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H22F3N3O/c1-21(2)13(10-12-6-4-3-5-7-12)11-20-14(22)19-9-8-15(16,17)18/h3-7,13H,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyWNOVAXFFLWKIIK-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea

1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea (PubChem CID 167893298) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
PubChem CID167893298
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
SMILESCN(C)C(CNC(=O)NCCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H22F3N3O/c1-21(2)13(10-12-6-4-3-5-7-12)11-20-14(22)19-9-8-15(16,17)18/h3-7,13H,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyWNOVAXFFLWKIIK-UHFFFAOYSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
CID 8678665
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
1-[(Z)-3-amino-4-[amino(benzyl)amino]but-3-enyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135213883
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea (CID 167893298) is 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea is CN(C)C(CNC(=O)NCCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is WNOVAXFFLWKIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-21(2)13(10-12-6-4-3-5-7-12)11-20-14(22)19-9-8-15(16,17)18/h3-7,13H,8-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea?
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 317.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 167893298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).