[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate

C23H26N2O6 — CID 55366835

IUPAC[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O6/c1-14(2)22(28)25-18-9-5-16(6-10-18)21(27)15(3)31-20(26)13-24-23(29)17-7-11-19(30-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyYJZAGHFMTXFUBU-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.83
Rot. Bonds9

About [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 55366835) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID55366835
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O6/c1-14(2)22(28)25-18-9-5-16(6-10-18)21(27)15(3)31-20(26)13-24-23(29)17-7-11-19(30-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyYJZAGHFMTXFUBU-UHFFFAOYSA-N
XLogP2.83
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55366461
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709194
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709193
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 40747138
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788358
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735955
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884539
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate (CID 55366835) is [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OC(C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is YJZAGHFMTXFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-14(2)22(28)25-18-9-5-16(6-10-18)21(27)15(3)31-20(26)13-24-23(29)17-7-11-19(30-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate?
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 55366835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).