(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide

C22H26N2O5 — CID 7990427

IUPAC(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-15(25)17-4-9-20(21(14-17)27-3)29-16(2)22(26)23-18-5-7-19(8-6-18)24-10-12-28-13-11-24/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyVZSYFHJXXWHLON-INIZCTEOSA-N
MW398.46 g/mol
LogP3.14
Rot. Bonds7

About (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7990427) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7990427
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-15(25)17-4-9-20(21(14-17)27-3)29-16(2)22(26)23-18-5-7-19(8-6-18)24-10-12-28-13-11-24/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyVZSYFHJXXWHLON-INIZCTEOSA-N
XLogP3.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 7261645
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26054553
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8730672
2-(2-methoxyphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194742
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913367
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide (CID 7990427) is (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide is COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is VZSYFHJXXWHLON-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(25)17-4-9-20(21(14-17)27-3)29-16(2)22(26)23-18-5-7-19(8-6-18)24-10-12-28-13-11-24/h4-9,14,16H,10-13H2,1-3H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 398.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7990427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).