4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide

C17H25FN2O2 — CID 120561270

IUPAC4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H25FN2O2/c1-13(19)2-7-16(21)20-12-17(8-10-22-11-9-17)14-3-5-15(18)6-4-14/h3-6,13H,2,7-12,19H2,1H3,(H,20,21)
InChIKeyQGSVSVDCZQCWNJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.12
Rot. Bonds6

About 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide

4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide (PubChem CID 120561270) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
PubChem CID120561270
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H25FN2O2/c1-13(19)2-7-16(21)20-12-17(8-10-22-11-9-17)14-3-5-15(18)6-4-14/h3-6,13H,2,7-12,19H2,1H3,(H,20,21)
InChIKeyQGSVSVDCZQCWNJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 47070997
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide (CID 120561270) is 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide is CC(N)CCC(=O)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide?
The InChIKey is QGSVSVDCZQCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(19)2-7-16(21)20-12-17(8-10-22-11-9-17)14-3-5-15(18)6-4-14/h3-6,13H,2,7-12,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide?
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide has a molecular weight of 308.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide is sourced from PubChem (CID 120561270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).