2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one

C23H38N4O4 — CID 4966424

IUPAC2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C23H38N4O4/c1-5-25-8-10-27(11-9-25)23(28)18(4)24-19-16-22(31-7-3)20(17-21(19)30-6-2)26-12-14-29-15-13-26/h16-18,24H,5-15H2,1-4H3
InChIKeyMHWPGOMUXOUQNJ-UHFFFAOYSA-N
MW434.58 g/mol
LogP2.29
Rot. Bonds9

About 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one

2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 4966424) has the molecular formula C23H38N4O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID4966424
Molecular FormulaC23H38N4O4
Molecular Weight434.58 g/mol
Exact Mass434.29
IUPAC Name2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C23H38N4O4/c1-5-25-8-10-27(11-9-25)23(28)18(4)24-19-16-22(31-7-3)20(17-21(19)30-6-2)26-12-14-29-15-13-26/h16-18,24H,5-15H2,1-4H3
InChIKeyMHWPGOMUXOUQNJ-UHFFFAOYSA-N
XLogP2.29
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 9866614
Rwj-38063
CID 9887378
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Fenoxedil
CID 71731
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 1241231
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(trifluoroacetyl)piperazin-2-yl]acetamide
CID 2969220
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
CID 98599
Cyclohexanecarboxylic acid [2,5-dimethoxy-4-(2-piperidin-1-yl-acetylamino)-phenyl]-amide
CID 644523
N-[4-(3-Cyclohexyl-ureido)-2,5-dimethoxy-phenyl]-butyramide
CID 644834
N-{2,5-Dimethoxy-4-[3-(2-methoxy-phenyl)-ureido]-phenyl}-2-piperidin-1-yl-acetamide
CID 647186
N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 651777

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 4966424) is 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)C(=O)N1CCN(CC)CC1.
What is the InChIKey of 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is MHWPGOMUXOUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4/c1-5-25-8-10-27(11-9-25)23(28)18(4)24-19-16-22(31-7-3)20(17-21(19)30-6-2)26-12-14-29-15-13-26/h16-18,24H,5-15H2,1-4H3.
What are the key properties of 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 434.58 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxy-4-morpholin-4-ylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4966424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).