1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

C21H26F3N5O2 — CID 11618993

IUPAC1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C)CCN(CCNC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H26F3N5O2/c1-28(2)14-15-29(13-12-25-19(30)26-17-6-4-3-5-7-17)20(31)27-18-10-8-16(9-11-18)21(22,23)24/h3-11H,12-15H2,1-2H3,(H,27,31)(H2,25,26,30)
InChIKeyYTEWSWLXMJCWIK-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.92
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 11618993) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID11618993
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCN(C)CCN(CCNC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H26F3N5O2/c1-28(2)14-15-29(13-12-25-19(30)26-17-6-4-3-5-7-17)20(31)27-18-10-8-16(9-11-18)21(22,23)24/h3-11H,12-15H2,1-2H3,(H,27,31)(H2,25,26,30)
InChIKeyYTEWSWLXMJCWIK-UHFFFAOYSA-N
XLogP3.92
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[3-[(4-bromophenyl)carbamoylamino]propyl]-1-[2-(dimethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 68923663
1-[3-[(4-bromophenyl)carbamoylamino]propyl]-1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 68918542
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
1-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-1-[2-[di(propan-2-yl)amino]ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11577325
2-[3-(diethylamino)propyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]ethylcarbamic acid
CID 141120602
1-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-1-(2-piperidin-1-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 11684918
1-[2-(diethylamino)ethyl]-1-[2-[[4-(diethylamino)phenyl]carbamothioylamino]ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 87623426
3-(3-methylphenyl)-1-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 3505139
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
2-[4-[[2-(dimethylamino)ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 86846972
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 11618993) is 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is CN(C)CCN(CCNC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is YTEWSWLXMJCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-28(2)14-15-29(13-12-25-19(30)26-17-6-4-3-5-7-17)20(31)27-18-10-8-16(9-11-18)21(22,23)24/h3-11H,12-15H2,1-2H3,(H,27,31)(H2,25,26,30).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 437.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[2-(phenylcarbamoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11618993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).