[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate

C14H20N2O4 — CID 61487898

IUPAC[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
SMILESCOCC(C)NC(=O)COC(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O4/c1-10(8-19-2)16-13(17)9-20-14(18)7-11-5-3-4-6-12(11)15/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyWGGQALSESNGNQR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.51
Rot. Bonds7

About [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate (PubChem CID 61487898) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
PubChem CID61487898
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
SMILESCOCC(C)NC(=O)COC(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O4/c1-10(8-19-2)16-13(17)9-20-14(18)7-11-5-3-4-6-12(11)15/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyWGGQALSESNGNQR-UHFFFAOYSA-N
XLogP0.51
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367347
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 115936108
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625176
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
CID 61314279
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate
CID 61488037
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
The IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate (CID 61487898) is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
The canonical SMILES for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate is COCC(C)NC(=O)COC(=O)Cc1ccccc1N.
What is the InChIKey of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
The InChIKey is WGGQALSESNGNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(8-19-2)16-13(17)9-20-14(18)7-11-5-3-4-6-12(11)15/h3-6,10H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate?
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate has a molecular weight of 280.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate is sourced from PubChem (CID 61487898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).