1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea

C10H20F3N3O — CID 115595036

IUPAC1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
SMILESCCCN(CCN(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-4-5-16(7-6-15(2)3)9(17)14-8-10(11,12)13/h4-8H2,1-3H3,(H,14,17)
InChIKeyBJGMPYJWKPSCSV-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea

1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115595036) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115595036
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
SMILESCCCN(CCN(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-4-5-16(7-6-15(2)3)9(17)14-8-10(11,12)13/h4-8H2,1-3H3,(H,14,17)
InChIKeyBJGMPYJWKPSCSV-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)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

methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113230187
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
CID 115612493
2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63645928
1-(2-chloroethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 106441672
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
1-(3-amino-3-hydroxyiminopropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 104858927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea (CID 115595036) is 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea is CCCN(CCN(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BJGMPYJWKPSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-4-5-16(7-6-15(2)3)9(17)14-8-10(11,12)13/h4-8H2,1-3H3,(H,14,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea?
1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 255.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115595036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).