[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate

C15H22N2O4 — CID 61314279

IUPAC[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
SMILESCCC(C)NC(=O)COC(=O)CCOc1ccccc1N
InChIInChI=1S/C15H22N2O4/c1-3-11(2)17-14(18)10-21-15(19)8-9-20-13-7-5-4-6-12(13)16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyJQZRCUMUGJIBJT-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds8

About [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate

[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate (PubChem CID 61314279) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Name[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
PubChem CID61314279
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate
SMILESCCC(C)NC(=O)COC(=O)CCOc1ccccc1N
InChIInChI=1S/C15H22N2O4/c1-3-11(2)17-14(18)10-21-15(19)8-9-20-13-7-5-4-6-12(13)16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyJQZRCUMUGJIBJT-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-(2-aminophenoxy)-N-hexan-2-ylacetamide
CID 62197710
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367347
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
CID 104827234
methyl 4-[3-(2-aminophenoxy)propanoyloxy]butanoate
CID 61314466
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate?
The IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate (CID 61314279) is [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate.
What is the SMILES notation for [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate?
The canonical SMILES for [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate is CCC(C)NC(=O)COC(=O)CCOc1ccccc1N.
What is the InChIKey of [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate?
The InChIKey is JQZRCUMUGJIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-11(2)17-14(18)10-21-15(19)8-9-20-13-7-5-4-6-12(13)16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate?
[2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate has a molecular weight of 294.35 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)-2-oxoethyl] 3-(2-aminophenoxy)propanoate is sourced from PubChem (CID 61314279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).