(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

C24H32N3O4+ — CID 8592692

IUPAC(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
SMILESCCOc1ccc(C(C)=O)cc1C[NH+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-31-23-10-5-19(18(2)28)15-20(23)16-26(3)17-24(29)25-21-6-8-22(9-7-21)27-11-13-30-14-12-27/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,29)/p+1
InChIKeyKFJYOVPNWFXSPW-UHFFFAOYSA-O
MW426.54 g/mol
LogP1.78
Rot. Bonds9

About (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium (PubChem CID 8592692) has the molecular formula C24H32N3O4+ and a molecular weight of 426.54 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
PubChem CID8592692
Molecular FormulaC24H32N3O4+
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
SMILESCCOc1ccc(C(C)=O)cc1C[NH+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-31-23-10-5-19(18(2)28)15-20(23)16-26(3)17-24(29)25-21-6-8-22(9-7-21)27-11-13-30-14-12-27/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,29)/p+1
InChIKeyKFJYOVPNWFXSPW-UHFFFAOYSA-O
XLogP1.78
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588168
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
CID 9267796
methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592985
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990427
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
(2-cyanophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8818931
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 9029424
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252847

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium (CID 8592692) is (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium is CCOc1ccc(C(C)=O)cc1C[NH+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The InChIKey is KFJYOVPNWFXSPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N3O4/c1-4-31-23-10-5-19(18(2)28)15-20(23)16-26(3)17-24(29)25-21-6-8-22(9-7-21)27-11-13-30-14-12-27/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,29)/p+1.
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium has a molecular weight of 426.54 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8592692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).