[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate

C27H32N2O5 — CID 16569475

IUPAC[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESO=C(COC(=O)C1c2ccccc2Oc2ccccc21)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C27H32N2O5/c30-24(28-19-27(12-6-1-7-13-27)29-14-16-32-17-15-29)18-33-26(31)25-20-8-2-4-10-22(20)34-23-11-5-3-9-21(23)25/h2-5,8-11,25H,1,6-7,12-19H2,(H,28,30)
InChIKeyOBTYEVUJPRFROL-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.62
Rot. Bonds6

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate (PubChem CID 16569475) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
PubChem CID16569475
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESO=C(COC(=O)C1c2ccccc2Oc2ccccc21)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C27H32N2O5/c30-24(28-19-27(12-6-1-7-13-27)29-14-16-32-17-15-29)18-33-26(31)25-20-8-2-4-10-22(20)34-23-11-5-3-9-21(23)25/h2-5,8-11,25H,1,6-7,12-19H2,(H,28,30)
InChIKeyOBTYEVUJPRFROL-UHFFFAOYSA-N
XLogP3.62
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate with MolForge

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Related Compounds

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55475345
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 16596089
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16575448
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 55476275
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 55536838
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 43040015
[2-oxo-2-(prop-2-ynylamino)ethyl] 9H-xanthene-9-carboxylate
CID 9201550
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 16572994

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate (CID 16569475) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate is O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
The InChIKey is OBTYEVUJPRFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c30-24(28-19-27(12-6-1-7-13-27)29-14-16-32-17-15-29)18-33-26(31)25-20-8-2-4-10-22(20)34-23-11-5-3-9-21(23)25/h2-5,8-11,25H,1,6-7,12-19H2,(H,28,30).
What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate?
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate has a molecular weight of 464.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 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] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 16569475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).