[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C18H24N2O5 — CID 2565337

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H24N2O5/c1-24-15-9-5-6-13(10-15)18(23)19-11-17(22)25-12-16(21)20-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyDIBYNLKITNHCAQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.42
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 2565337) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID2565337
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H24N2O5/c1-24-15-9-5-6-13(10-15)18(23)19-11-17(22)25-12-16(21)20-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyDIBYNLKITNHCAQ-UHFFFAOYSA-N
XLogP1.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 2565337) is [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCCC2)c1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is DIBYNLKITNHCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-15-9-5-6-13(10-15)18(23)19-11-17(22)25-12-16(21)20-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 348.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2565337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).