2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide

C21H20N2O2 — CID 43841950

IUPAC2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c22-20(15-16-7-3-1-4-8-16)21(24)23-17-11-13-19(14-12-17)25-18-9-5-2-6-10-18/h1-14,20H,15,22H2,(H,23,24)
InChIKeyXBYIOFRIFGPPSS-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.99
Rot. Bonds6

About 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide

2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide (PubChem CID 43841950) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
PubChem CID43841950
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c22-20(15-16-7-3-1-4-8-16)21(24)23-17-11-13-19(14-12-17)25-18-9-5-2-6-10-18/h1-14,20H,15,22H2,(H,23,24)
InChIKeyXBYIOFRIFGPPSS-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119298178
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide (CID 43841950) is 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide?
The InChIKey is XBYIOFRIFGPPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-20(15-16-7-3-1-4-8-16)21(24)23-17-11-13-19(14-12-17)25-18-9-5-2-6-10-18/h1-14,20H,15,22H2,(H,23,24).
What are the key properties of 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide?
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide has a molecular weight of 332.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 43841950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).