[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C23H29NO4 — CID 35576743

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C23H29NO4/c1-17(2)20-12-11-18(3)14-21(20)27-16-23(26)28-15-22(25)24-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,17H,7,10,13,15-16H2,1-3H3,(H,24,25)
InChIKeySKLUPWOASIKQMT-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.79
Rot. Bonds10

About [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 35576743) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID35576743
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C23H29NO4/c1-17(2)20-12-11-18(3)14-21(20)27-16-23(26)28-15-22(25)24-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,17H,7,10,13,15-16H2,1-3H3,(H,24,25)
InChIKeySKLUPWOASIKQMT-UHFFFAOYSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 86922039
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839369
[2-(3-chloroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839443
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924668
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 9492543
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924160

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 35576743) is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)NCCCc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is SKLUPWOASIKQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17(2)20-12-11-18(3)14-21(20)27-16-23(26)28-15-22(25)24-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,17H,7,10,13,15-16H2,1-3H3,(H,24,25).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 383.49 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 35576743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).