[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate

C22H25NO5 — CID 46806159

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C22H25NO5/c1-4-5-21(25)23-18-10-8-17(9-11-18)20(24)14-27-22(26)16(3)28-19-12-6-15(2)7-13-19/h6-13,16H,4-5,14H2,1-3H3,(H,23,25)
InChIKeyNRFPCDCQNSLDGE-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.93
Rot. Bonds9

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate (PubChem CID 46806159) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
PubChem CID46806159
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C22H25NO5/c1-4-5-21(25)23-18-10-8-17(9-11-18)20(24)14-27-22(26)16(3)28-19-12-6-15(2)7-13-19/h6-13,16H,4-5,14H2,1-3H3,(H,23,25)
InChIKeyNRFPCDCQNSLDGE-UHFFFAOYSA-N
XLogP3.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
CID 8791486
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487246
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7560345
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7488074
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[[4-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-4-oxobutanoyl]amino]benzoate
CID 98105832
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427

Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate (CID 46806159) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate is CCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
The InChIKey is NRFPCDCQNSLDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-4-5-21(25)23-18-10-8-17(9-11-18)20(24)14-27-22(26)16(3)28-19-12-6-15(2)7-13-19/h6-13,16H,4-5,14H2,1-3H3,(H,23,25).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate has a molecular weight of 383.44 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 46806159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).