methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate

C24H30N2O6 — CID 75457084

IUPACmethyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate
SMILESCOC(=O)CCN(C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1)c1ccccc1C
InChIInChI=1S/C24H30N2O6/c1-16(2)25-22(27)15-32-20-11-10-18(14-21(20)30-4)24(29)26(13-12-23(28)31-5)19-9-7-6-8-17(19)3/h6-11,14,16H,12-13,15H2,1-5H3,(H,25,27)
InChIKeyMFAKGSLPBYGASZ-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.12
Rot. Bonds10

About methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate

methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate (PubChem CID 75457084) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate
PubChem CID75457084
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Namemethyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate
SMILESCOC(=O)CCN(C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1)c1ccccc1C
InChIInChI=1S/C24H30N2O6/c1-16(2)25-22(27)15-32-20-11-10-18(14-21(20)30-4)24(29)26(13-12-23(28)31-5)19-9-7-6-8-17(19)3/h6-11,14,16H,12-13,15H2,1-5H3,(H,25,27)
InChIKeyMFAKGSLPBYGASZ-UHFFFAOYSA-N
XLogP3.12
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
(2-ethoxyphenyl) 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate
CID 55771663
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 55773477
2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 55851382
N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide
CID 55773772
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate?
The IUPAC name of methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate (CID 75457084) is methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate.
What is the SMILES notation for methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate?
The canonical SMILES for methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate is COC(=O)CCN(C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1)c1ccccc1C.
What is the InChIKey of methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate?
The InChIKey is MFAKGSLPBYGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-16(2)25-22(27)15-32-20-11-10-18(14-21(20)30-4)24(29)26(13-12-23(28)31-5)19-9-7-6-8-17(19)3/h6-11,14,16H,12-13,15H2,1-5H3,(H,25,27).
What are the key properties of methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate?
methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate has a molecular weight of 442.51 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate is sourced from PubChem (CID 75457084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).