2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide

C17H24FN3O3 — CID 56783659

IUPAC2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H24FN3O3/c1-2-9-19-16(23)21-15(22)12-20-17(7-10-24-11-8-17)13-3-5-14(18)6-4-13/h3-6,20H,2,7-12H2,1H3,(H2,19,21,22,23)
InChIKeyBFIRQIRICCNVBI-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.66
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide (PubChem CID 56783659) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide
PubChem CID56783659
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H24FN3O3/c1-2-9-19-16(23)21-15(22)12-20-17(7-10-24-11-8-17)13-3-5-14(18)6-4-13/h3-6,20H,2,7-12H2,1H3,(H2,19,21,22,23)
InChIKeyBFIRQIRICCNVBI-UHFFFAOYSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56783660
N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide
CID 86899752
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 86899757
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 86899713
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propylguanidine
CID 111225197
N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86898610
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 47070997
N-[4-(4-fluorophenyl)oxan-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 86898620
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide (CID 56783659) is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is BFIRQIRICCNVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-2-9-19-16(23)21-15(22)12-20-17(7-10-24-11-8-17)13-3-5-14(18)6-4-13/h3-6,20H,2,7-12H2,1H3,(H2,19,21,22,23).
What are the key properties of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide?
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 56783659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).