(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide

C22H28N2O2 — CID 119312794

IUPAC(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c23-21(15-17-7-3-1-4-8-17)22(25)24-16-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19,21H,2,5-6,9-10,15-16,23H2,(H,24,25)/t21-/m0/s1
InChIKeyDGSNXFWYSQVTRZ-NRFANRHFSA-N
MW352.48 g/mol
LogP3.58
Rot. Bonds7

About (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide

(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 119312794) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
PubChem CID119312794
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c23-21(15-17-7-3-1-4-8-17)22(25)24-16-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19,21H,2,5-6,9-10,15-16,23H2,(H,24,25)/t21-/m0/s1
InChIKeyDGSNXFWYSQVTRZ-NRFANRHFSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
CID 119312788
(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119284749
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119286541
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide (CID 119312794) is (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is DGSNXFWYSQVTRZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O2/c23-21(15-17-7-3-1-4-8-17)22(25)24-16-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19,21H,2,5-6,9-10,15-16,23H2,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119312794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).