[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate

C18H26N2O5 — CID 56519933

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)CNC(=O)CCC(C)C)cc1
InChIInChI=1S/C18H26N2O5/c1-13(2)4-9-16(21)20-11-18(23)25-12-17(22)19-10-14-5-7-15(24-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZKGXIQGMTIWLGT-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.41
Rot. Bonds10

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate (PubChem CID 56519933) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
PubChem CID56519933
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)CNC(=O)CCC(C)C)cc1
InChIInChI=1S/C18H26N2O5/c1-13(2)4-9-16(21)20-11-18(23)25-12-17(22)19-10-14-5-7-15(24-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZKGXIQGMTIWLGT-UHFFFAOYSA-N
XLogP1.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 4215523
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201254

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate (CID 56519933) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate is COc1ccc(CNC(=O)COC(=O)CNC(=O)CCC(C)C)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
The InChIKey is ZKGXIQGMTIWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13(2)4-9-16(21)20-11-18(23)25-12-17(22)19-10-14-5-7-15(24-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate has a molecular weight of 350.42 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate is sourced from PubChem (CID 56519933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).