(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide

C18H21FN2O2 — CID 119317321

IUPAC(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
SMILESCC(NC(=O)[C@H](C)N)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-12(20)18(22)21-13(2)15-5-9-17(10-6-15)23-11-14-3-7-16(19)8-4-14/h3-10,12-13H,11,20H2,1-2H3,(H,21,22)/t12-,13?/m0/s1
InChIKeyAYYQGVYMFOPGNJ-UEWDXFNNSA-N
MW316.38 g/mol
LogP2.93
Rot. Bonds6

About (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide

(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide (PubChem CID 119317321) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
PubChem CID119317321
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
SMILESCC(NC(=O)[C@H](C)N)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-12(20)18(22)21-13(2)15-5-9-17(10-6-15)23-11-14-3-7-16(19)8-4-14/h3-10,12-13H,11,20H2,1-2H3,(H,21,22)/t12-,13?/m0/s1
InChIKeyAYYQGVYMFOPGNJ-UEWDXFNNSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317323
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide (CID 119317321) is (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide is CC(NC(=O)[C@H](C)N)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
The InChIKey is AYYQGVYMFOPGNJ-UEWDXFNNSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(20)18(22)21-13(2)15-5-9-17(10-6-15)23-11-14-3-7-16(19)8-4-14/h3-10,12-13H,11,20H2,1-2H3,(H,21,22)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide?
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide is sourced from PubChem (CID 119317321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).