(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide

C24H24N2O4 — CID 7763394

IUPAC(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](Oc1ccc2ccccc2c1C=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O4/c1-17(30-23-11-6-18-4-2-3-5-21(18)22(23)16-27)24(28)25-19-7-9-20(10-8-19)26-12-14-29-15-13-26/h2-11,16-17H,12-15H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyRSKDBSWNDUSKMF-KRWDZBQOSA-N
MW404.47 g/mol
LogP3.89
Rot. Bonds6

About (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7763394) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7763394
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](Oc1ccc2ccccc2c1C=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O4/c1-17(30-23-11-6-18-4-2-3-5-21(18)22(23)16-27)24(28)25-19-7-9-20(10-8-19)26-12-14-29-15-13-26/h2-11,16-17H,12-15H2,1H3,(H,25,28)/t17-/m0/s1
InChIKeyRSKDBSWNDUSKMF-KRWDZBQOSA-N
XLogP3.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763312
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 40790480
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990437
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
(2R)-N-cyclopentyl-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763358
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7149760
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913367
(2R)-2-(3-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7781817
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7378633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide (CID 7763394) is (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide is C[C@H](Oc1ccc2ccccc2c1C=O)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is RSKDBSWNDUSKMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(30-23-11-6-18-4-2-3-5-21(18)22(23)16-27)24(28)25-19-7-9-20(10-8-19)26-12-14-29-15-13-26/h2-11,16-17H,12-15H2,1H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7763394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).