N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide

C26H45FN2O3 — CID 70230188

IUPACN-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide
SMILESCCCCCCCCCCCC(CC(=O)N[C@H](O)CCCCN)OCc1ccccc1F
InChIInChI=1S/C26H45FN2O3/c1-2-3-4-5-6-7-8-9-10-16-23(32-21-22-15-11-12-17-24(22)27)20-26(31)29-25(30)18-13-14-19-28/h11-12,15,17,23,25,30H,2-10,13-14,16,18-21,28H2,1H3,(H,29,31)/t23?,25-/m1/s1
InChIKeyKMLKLKLDRQNHHU-XSWBTSGESA-N
MW452.66 g/mol
LogP5.59
Rot. Bonds20

About N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide

N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide (PubChem CID 70230188) has the molecular formula C26H45FN2O3 and a molecular weight of 452.66 g/mol. Its IUPAC name is N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide.

Molecular Properties

Compound NameN-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide
PubChem CID70230188
Molecular FormulaC26H45FN2O3
Molecular Weight452.66 g/mol
Exact Mass452.34
IUPAC NameN-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide
SMILESCCCCCCCCCCCC(CC(=O)N[C@H](O)CCCCN)OCc1ccccc1F
InChIInChI=1S/C26H45FN2O3/c1-2-3-4-5-6-7-8-9-10-16-23(32-21-22-15-11-12-17-24(22)27)20-26(31)29-25(30)18-13-14-19-28/h11-12,15,17,23,25,30H,2-10,13-14,16,18-21,28H2,1H3,(H,29,31)/t23?,25-/m1/s1
InChIKeyKMLKLKLDRQNHHU-XSWBTSGESA-N
XLogP5.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylethyl)tetradecanamide
CID 71454780
N-[(2R,4R)-1-hydroxy-4-methoxy-4-phenylbutan-2-yl]dodecanamide
CID 11810947
3-hydroxy-2,2-dimethyl-3-phenyl-N-prop-2-enylpropanamide
CID 44560510
3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide
CID 44560511
4-ethenyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328485
4-ethenyl-2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328486
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328487
N-cyclohexyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328557
4-ethenyl-2-(4-fluorophenyl)-N-propyl-2,5-dihydrofuran-3-carboxamide
CID 57328558
4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide
CID 57328559
4-ethenyl-2-(4-fluorophenyl)-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
CID 57328560
12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide
CID 71524722

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide?
The IUPAC name of N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide (CID 70230188) is N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide.
What is the SMILES notation for N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide?
The canonical SMILES for N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide is CCCCCCCCCCCC(CC(=O)N[C@H](O)CCCCN)OCc1ccccc1F.
What is the InChIKey of N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide?
The InChIKey is KMLKLKLDRQNHHU-XSWBTSGESA-N. The full InChI is InChI=1S/C26H45FN2O3/c1-2-3-4-5-6-7-8-9-10-16-23(32-21-22-15-11-12-17-24(22)27)20-26(31)29-25(30)18-13-14-19-28/h11-12,15,17,23,25,30H,2-10,13-14,16,18-21,28H2,1H3,(H,29,31)/t23?,25-/m1/s1.
What are the key properties of N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide?
N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide has a molecular weight of 452.66 g/mol, XLogP of 5.59, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-amino-1-hydroxypentyl]-3-[(2-fluorophenyl)methoxy]tetradecanamide is sourced from PubChem (CID 70230188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).