methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate

C24H28N2O6 — CID 2858219

IUPACmethyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N(CCN(C(=O)CCC(=O)OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O6/c1-31-23(29)15-13-21(27)25(19-9-5-3-6-10-19)17-18-26(20-11-7-4-8-12-20)22(28)14-16-24(30)32-2/h3-12H,13-18H2,1-2H3
InChIKeyWDOHSMCOHNNXAW-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.96
Rot. Bonds11

About methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate

methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate (PubChem CID 2858219) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
PubChem CID2858219
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Namemethyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N(CCN(C(=O)CCC(=O)OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O6/c1-31-23(29)15-13-21(27)25(19-9-5-3-6-10-19)17-18-26(20-11-7-4-8-12-20)22(28)14-16-24(30)32-2/h3-12H,13-18H2,1-2H3
InChIKeyWDOHSMCOHNNXAW-UHFFFAOYSA-N
XLogP2.96
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate with MolForge

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Related Compounds

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2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
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octyl 4-(N-ethylanilino)-4-oxobutanoate
CID 91710998
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
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N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
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methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 4-[N-(cyanomethyl)-4-methoxyanilino]-4-oxobutanoate
CID 19439362
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
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CID 60832305

Frequently Asked Questions

What is the IUPAC name of methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate?
The IUPAC name of methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate (CID 2858219) is methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate is COC(=O)CCC(=O)N(CCN(C(=O)CCC(=O)OC)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate?
The InChIKey is WDOHSMCOHNNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-31-23(29)15-13-21(27)25(19-9-5-3-6-10-19)17-18-26(20-11-7-4-8-12-20)22(28)14-16-24(30)32-2/h3-12H,13-18H2,1-2H3.
What are the key properties of methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate?
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate has a molecular weight of 440.50 g/mol, XLogP of 2.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate is sourced from PubChem (CID 2858219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).