[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate

C20H22N2O5 — CID 9016443

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14(23)21-16-9-10-18(26-2)17(12-16)22-19(24)13-27-20(25)11-8-15-6-4-3-5-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOTPZRCFHENFRIK-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.77
Rot. Bonds8

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate (PubChem CID 9016443) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
PubChem CID9016443
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14(23)21-16-9-10-18(26-2)17(12-16)22-19(24)13-27-20(25)11-8-15-6-4-3-5-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOTPZRCFHENFRIK-UHFFFAOYSA-N
XLogP2.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016765
N-(5-acetamido-2-methoxyphenyl)-2-(2-benzylphenoxy)acetamide
CID 7925379
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 55397543
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8562092
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate (CID 9016443) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate is COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCc1ccccc1.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is OTPZRCFHENFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)21-16-9-10-18(26-2)17(12-16)22-19(24)13-27-20(25)11-8-15-6-4-3-5-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 370.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 9016443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).