N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H21FN2O4 — CID 94458056

IUPACN-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4/c1-13(20-17(22)14-8-11-24-12-14)18(23)21(2)9-3-10-25-16-6-4-15(19)5-7-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyVOPPIKCBMCKHTH-CYBMUJFWSA-N
MW348.37 g/mol
LogP2.46
Rot. Bonds8

About N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94458056) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94458056
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC NameN-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4/c1-13(20-17(22)14-8-11-24-12-14)18(23)21(2)9-3-10-25-16-6-4-15(19)5-7-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyVOPPIKCBMCKHTH-CYBMUJFWSA-N
XLogP2.46
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 46435034
3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 119227974
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
2-[4-[2-[2-(furan-3-carbonylamino)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255513
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 94458056) is N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CCCOc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is VOPPIKCBMCKHTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-13(20-17(22)14-8-11-24-12-14)18(23)21(2)9-3-10-25-16-6-4-15(19)5-7-16/h4-8,11-13H,3,9-10H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94458056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).