[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate

C20H28N2O4 — CID 26164487

IUPAC[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H28N2O4/c23-19(15-26-20(24)17-4-2-1-3-5-17)21-18-8-6-16(7-9-18)14-22-10-12-25-13-11-22/h6-9,17H,1-5,10-15H2,(H,21,23)
InChIKeyQVLJKLIVQBBMDM-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.58
Rot. Bonds6

About [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate

[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 26164487) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID26164487
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H28N2O4/c23-19(15-26-20(24)17-4-2-1-3-5-17)21-18-8-6-16(7-9-18)14-22-10-12-25-13-11-22/h6-9,17H,1-5,10-15H2,(H,21,23)
InChIKeyQVLJKLIVQBBMDM-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
ethyl (3R)-1-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561215
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518315
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] cyclohexanecarboxylate
CID 9416191

Frequently Asked Questions

What is the IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate (CID 26164487) is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate is O=C(COC(=O)C1CCCCC1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is QVLJKLIVQBBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(15-26-20(24)17-4-2-1-3-5-17)21-18-8-6-16(7-9-18)14-22-10-12-25-13-11-22/h6-9,17H,1-5,10-15H2,(H,21,23).
What are the key properties of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate?
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 360.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 26164487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).