[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate

C22H19NO4 — CID 5057672

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
SMILESCOc1ccccc1NC(=O)COC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C22H19NO4/c1-26-20-12-5-4-11-19(20)23-21(24)15-27-22(25)14-13-17-9-6-8-16-7-2-3-10-18(16)17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyHCBOYRLTLIYZMA-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.04
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate

[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate (PubChem CID 5057672) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
PubChem CID5057672
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
SMILESCOc1ccccc1NC(=O)COC(=O)C=Cc1cccc2ccccc12
InChIInChI=1S/C22H19NO4/c1-26-20-12-5-4-11-19(20)23-21(24)15-27-22(25)14-13-17-9-6-8-16-7-2-3-10-18(16)17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyHCBOYRLTLIYZMA-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.04
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

[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2587262
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 1193097
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (E)-3-naphthalen-1-ylprop-2-enoate
CID 1193113
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541651
[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3300739
(2-anilino-2-oxoethyl) (E)-3-naphthalen-1-ylprop-2-enoate
CID 733137
[2-(2-ethylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641246
[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8837020
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4621174
[2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641398
[2-(4-methylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 733131
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2630002

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate (CID 5057672) is [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate is COc1ccccc1NC(=O)COC(=O)C=Cc1cccc2ccccc12.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The InChIKey is HCBOYRLTLIYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-20-12-5-4-11-19(20)23-21(24)15-27-22(25)14-13-17-9-6-8-16-7-2-3-10-18(16)17/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate has a molecular weight of 361.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 5057672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).