[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate

C19H19NO4 — CID 3600561

IUPAC[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)C=Cc1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(19(22)20-16-10-6-7-11-17(16)23-2)24-18(21)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,20,22)
InChIKeyYKTZVSAPBBPCCY-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.28
Rot. Bonds6

About [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate (PubChem CID 3600561) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
PubChem CID3600561
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)C=Cc1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(19(22)20-16-10-6-7-11-17(16)23-2)24-18(21)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,20,22)
InChIKeyYKTZVSAPBBPCCY-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7786039
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 5116580
[1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 6244851
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 8517641
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486167
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 7967736
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253540
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-3-phenylprop-2-enoate
CID 7852989
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 55994306
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6105321
1-O-ethyl 4-O-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-but-2-enedioate
CID 40577642
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4252952

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate?
The IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate (CID 3600561) is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate.
What is the SMILES notation for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate?
The canonical SMILES for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate is COc1ccccc1NC(=O)C(C)OC(=O)C=Cc1ccccc1.
What is the InChIKey of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate?
The InChIKey is YKTZVSAPBBPCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14(19(22)20-16-10-6-7-11-17(16)23-2)24-18(21)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,20,22).
What are the key properties of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate?
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate has a molecular weight of 325.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate is sourced from PubChem (CID 3600561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).