[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate

C21H31NO5 — CID 55516240

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OCC(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C21H31NO5/c1-15(2)12-22(13-16(3)4)20(24)14-27-21(25)10-11-26-19-8-6-18(7-9-19)17(5)23/h6-9,15-16H,10-14H2,1-5H3
InChIKeyLZBCFUARIFTOJP-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.34
Rot. Bonds11

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate (PubChem CID 55516240) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
PubChem CID55516240
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OCC(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C21H31NO5/c1-15(2)12-22(13-16(3)4)20(24)14-27-21(25)10-11-26-19-8-6-18(7-9-19)17(5)23/h6-9,15-16H,10-14H2,1-5H3
InChIKeyLZBCFUARIFTOJP-UHFFFAOYSA-N
XLogP3.34
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2442737
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
(4-acetylphenyl) 2-[4-(3-methylbutoxy)phenoxy]acetate
CID 4732934
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55317010
2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 78765430
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31656361
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31657210
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316955
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
ethyl 4-[2-[3-(4-acetylphenoxy)propanoyloxy]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 31658940
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 55530189

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate (CID 55516240) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate is CC(=O)c1ccc(OCCC(=O)OCC(=O)N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The InChIKey is LZBCFUARIFTOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5/c1-15(2)12-22(13-16(3)4)20(24)14-27-21(25)10-11-26-19-8-6-18(7-9-19)17(5)23/h6-9,15-16H,10-14H2,1-5H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate has a molecular weight of 377.48 g/mol, XLogP of 3.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate is sourced from PubChem (CID 55516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).