[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate

C14H18N2O5 — CID 9015180

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C14H18N2O5/c1-4-14(19)21-8-13(18)16-11-7-10(15-9(2)17)5-6-12(11)20-3/h5-7H,4,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYYMRIRAWWYGTPA-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.55
Rot. Bonds6

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate (PubChem CID 9015180) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
PubChem CID9015180
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C14H18N2O5/c1-4-14(19)21-8-13(18)16-11-7-10(15-9(2)17)5-6-12(11)20-3/h5-7H,4,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYYMRIRAWWYGTPA-UHFFFAOYSA-N
XLogP1.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8562092
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937970
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 27970560
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289124
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 55397543
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate (CID 9015180) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1cc(NC(C)=O)ccc1OC.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate?
The InChIKey is YYMRIRAWWYGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-14(19)21-8-13(18)16-11-7-10(15-9(2)17)5-6-12(11)20-3/h5-7H,4,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate has a molecular weight of 294.31 g/mol, XLogP of 1.55, 6 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] propanoate is sourced from PubChem (CID 9015180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).