(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide

C23H24N2O3 — CID 67010016

IUPAC(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@@H](N)COCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-17-7-11-20(12-8-17)28-21-13-9-19(10-14-21)25-23(26)22(24)16-27-15-18-5-3-2-4-6-18/h2-14,22H,15-16,24H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyHSUXMGQFSYCPJF-QFIPXVFZSA-N
MW376.46 g/mol
LogP4.27
Rot. Bonds8

About (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide

(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide (PubChem CID 67010016) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
PubChem CID67010016
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@@H](N)COCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-17-7-11-20(12-8-17)28-21-13-9-19(10-14-21)25-23(26)22(24)16-27-15-18-5-3-2-4-6-18/h2-14,22H,15-16,24H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyHSUXMGQFSYCPJF-QFIPXVFZSA-N
XLogP4.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009405
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
(2S)-2-amino-3-methoxy-N-[4-[(4-phenylphenyl)methoxy]phenyl]propanamide
CID 163928568
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
CID 131854794
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
CID 67009207
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
CID 67009931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide (CID 67010016) is (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide is Cc1ccc(Oc2ccc(NC(=O)[C@@H](N)COCc3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide?
The InChIKey is HSUXMGQFSYCPJF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17-7-11-20(12-8-17)28-21-13-9-19(10-14-21)25-23(26)22(24)16-27-15-18-5-3-2-4-6-18/h2-14,22H,15-16,24H2,1H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide?
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide has a molecular weight of 376.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 67010016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).