1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea

C15H24FN3O — CID 79667605

IUPAC1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
SMILESCCCN(CC(C)(C)CN)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H24FN3O/c1-4-9-19(11-15(2,3)10-17)14(20)18-13-8-6-5-7-12(13)16/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)
InChIKeySFZVVUAVEXTPHR-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.05
Rot. Bonds6

About 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea

1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea (PubChem CID 79667605) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
PubChem CID79667605
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
SMILESCCCN(CC(C)(C)CN)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H24FN3O/c1-4-9-19(11-15(2,3)10-17)14(20)18-13-8-6-5-7-12(13)16/h5-8H,4,9-11,17H2,1-3H3,(H,18,20)
InChIKeySFZVVUAVEXTPHR-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
CID 79663881
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2-fluorophenyl)carbamoyl-propylamino]acetamide
CID 1062280
3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
CID 43288499
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea?
The IUPAC name of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea (CID 79667605) is 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea?
The canonical SMILES for 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea is CCCN(CC(C)(C)CN)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea?
The InChIKey is SFZVVUAVEXTPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-9-19(11-15(2,3)10-17)14(20)18-13-8-6-5-7-12(13)16/h5-8H,4,9-11,17H2,1-3H3,(H,18,20).
What are the key properties of 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea?
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea has a molecular weight of 281.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea is sourced from PubChem (CID 79667605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).