[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate

C15H22N2O4 — CID 61315041

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
SMILESCC(C)CNC(=O)COC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H22N2O4/c1-11(2)9-17-14(18)10-21-15(19)6-7-20-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyHGCZMNPNDMSESC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.35
Rot. Bonds8

About [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate

[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate (PubChem CID 61315041) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
PubChem CID61315041
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
SMILESCC(C)CNC(=O)COC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H22N2O4/c1-11(2)9-17-14(18)10-21-15(19)6-7-20-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyHGCZMNPNDMSESC-UHFFFAOYSA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.35
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-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148075
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate (CID 61315041) is [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate is CC(C)CNC(=O)COC(=O)CCOc1cccc(N)c1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
The InChIKey is HGCZMNPNDMSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)9-17-14(18)10-21-15(19)6-7-20-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate has a molecular weight of 294.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 61315041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).