(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide

C22H21NO4 — CID 42093263

IUPAC(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c1-16(26-19-14-12-17(25-2)13-15-19)22(24)23-20-10-6-7-11-21(20)27-18-8-4-3-5-9-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyPYXLAOLLYXUVPR-INIZCTEOSA-N
MW363.41 g/mol
LogP4.89
Rot. Bonds7

About (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide

(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide (PubChem CID 42093263) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
PubChem CID42093263
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c1-16(26-19-14-12-17(25-2)13-15-19)22(24)23-20-10-6-7-11-21(20)27-18-8-4-3-5-9-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyPYXLAOLLYXUVPR-INIZCTEOSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 18837904
2-(4-fluorophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 21368419
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
(2R)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524467
(2S)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524469
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
(2R)-2-(2-methylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 30392256
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
2-(4-methoxyphenoxy)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17074273
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide (CID 42093263) is (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is PYXLAOLLYXUVPR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21NO4/c1-16(26-19-14-12-17(25-2)13-15-19)22(24)23-20-10-6-7-11-21(20)27-18-8-4-3-5-9-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide?
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 363.41 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 42093263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).