2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide

C17H20N2O2 — CID 78934009

IUPAC2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
SMILESCC(Oc1ccc([C@H](C)N)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(18)14-8-10-16(11-9-14)21-13(2)17(20)19-15-6-4-3-5-7-15/h3-13H,18H2,1-2H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyAWUAGQMTGLRXQR-UEWDXFNNSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide (PubChem CID 78934009) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
PubChem CID78934009
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
SMILESCC(Oc1ccc([C@H](C)N)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12(18)14-8-10-16(11-9-14)21-13(2)17(20)19-15-6-4-3-5-7-15/h3-13H,18H2,1-2H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyAWUAGQMTGLRXQR-UEWDXFNNSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-phenylpropanamide
CID 43115954
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-carbamothioylphenoxy)-N-phenylpropanamide
CID 43116878
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide (CID 78934009) is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide is CC(Oc1ccc([C@H](C)N)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide?
The InChIKey is AWUAGQMTGLRXQR-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(18)14-8-10-16(11-9-14)21-13(2)17(20)19-15-6-4-3-5-7-15/h3-13H,18H2,1-2H3,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide?
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide is sourced from PubChem (CID 78934009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).