[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate

C20H27ClN2O5 — CID 55536838

IUPAC[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H27ClN2O5/c21-15-4-5-16(17(24)12-15)19(26)28-13-18(25)22-14-20(6-2-1-3-7-20)23-8-10-27-11-9-23/h4-5,12,24H,1-3,6-11,13-14H2,(H,22,25)
InChIKeyUBSSVOIHNAISNT-UHFFFAOYSA-N
MW410.90 g/mol
LogP2.35
Rot. Bonds6

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate (PubChem CID 55536838) has the molecular formula C20H27ClN2O5 and a molecular weight of 410.90 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
PubChem CID55536838
Molecular FormulaC20H27ClN2O5
Molecular Weight410.90 g/mol
Exact Mass410.16
IUPAC Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H27ClN2O5/c21-15-4-5-16(17(24)12-15)19(26)28-13-18(25)22-14-20(6-2-1-3-7-20)23-8-10-27-11-9-23/h4-5,12,24H,1-3,6-11,13-14H2,(H,22,25)
InChIKeyUBSSVOIHNAISNT-UHFFFAOYSA-N
XLogP2.35
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 43040015
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730399
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 55475819
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
CID 18150649
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55666927
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16569491

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate (CID 55536838) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate is O=C(COC(=O)c1ccc(Cl)cc1O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
The InChIKey is UBSSVOIHNAISNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O5/c21-15-4-5-16(17(24)12-15)19(26)28-13-18(25)22-14-20(6-2-1-3-7-20)23-8-10-27-11-9-23/h4-5,12,24H,1-3,6-11,13-14H2,(H,22,25).
What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate has a molecular weight of 410.90 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 55536838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).