[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate

C15H19NO4 — CID 8019538

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)C1CCC1
InChIInChI=1S/C15H19NO4/c1-19-13-8-3-2-5-12(13)9-16-14(17)10-20-15(18)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,16,17)
InChIKeyDQOVQDQTCAOKDM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.65
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019538) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019538
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)C1CCC1
InChIInChI=1S/C15H19NO4/c1-19-13-8-3-2-5-12(13)9-16-14(17)10-20-15(18)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,16,17)
InChIKeyDQOVQDQTCAOKDM-UHFFFAOYSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate
CID 8722137
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7830319
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate (CID 8019538) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate is COc1ccccc1CNC(=O)COC(=O)C1CCC1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is DQOVQDQTCAOKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-8-3-2-5-12(13)9-16-14(17)10-20-15(18)11-6-4-7-11/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).