(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide

C22H30N2O2 — CID 51354470

IUPAC(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
SMILESCC[C@H](C)COc1ccc([C@H](CN)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O2/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-23)24-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21H,4,14-15,23H2,1-3H3,(H,24,25)/t16-,17-,21-/m0/s1
InChIKeyFYQZVYARTJVLPK-FIKGOQFSSA-N
MW354.49 g/mol
LogP4.03
Rot. Bonds9

About (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide

(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide (PubChem CID 51354470) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
PubChem CID51354470
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide
SMILESCC[C@H](C)COc1ccc([C@H](CN)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O2/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-23)24-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21H,4,14-15,23H2,1-3H3,(H,24,25)/t16-,17-,21-/m0/s1
InChIKeyFYQZVYARTJVLPK-FIKGOQFSSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide (CID 51354470) is (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide is CC[C@H](C)COc1ccc([C@H](CN)NC(=O)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide?
The InChIKey is FYQZVYARTJVLPK-FIKGOQFSSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-16(2)15-26-20-12-10-19(11-13-20)21(14-23)24-22(25)17(3)18-8-6-5-7-9-18/h5-13,16-17,21H,4,14-15,23H2,1-3H3,(H,24,25)/t16-,17-,21-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide has a molecular weight of 354.49 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-amino-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 51354470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).