2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H29ClN2O5 — CID 30833944

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC3(N4CCOCC4)CCCCC3)c(Cl)cc12
InChIInChI=1S/C23H29ClN2O5/c1-16-11-22(28)31-19-13-20(18(24)12-17(16)19)30-14-21(27)25-15-23(5-3-2-4-6-23)26-7-9-29-10-8-26/h11-13H,2-10,14-15H2,1H3,(H,25,27)
InChIKeyCIBPCJYSMZPASJ-UHFFFAOYSA-N
MW448.95 g/mol
LogP3.28
Rot. Bonds6

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 30833944) has the molecular formula C23H29ClN2O5 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID30833944
Molecular FormulaC23H29ClN2O5
Molecular Weight448.95 g/mol
Exact Mass448.18
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC3(N4CCOCC4)CCCCC3)c(Cl)cc12
InChIInChI=1S/C23H29ClN2O5/c1-16-11-22(28)31-19-13-20(18(24)12-17(16)19)30-14-21(27)25-15-23(5-3-2-4-6-23)26-7-9-29-10-8-26/h11-13H,2-10,14-15H2,1H3,(H,25,27)
InChIKeyCIBPCJYSMZPASJ-UHFFFAOYSA-N
XLogP3.28
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 4823857
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 4823481
6-chloro-4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-2-one
CID 7468971
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 4793959
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 30833944) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)NCC3(N4CCOCC4)CCCCC3)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is CIBPCJYSMZPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O5/c1-16-11-22(28)31-19-13-20(18(24)12-17(16)19)30-14-21(27)25-15-23(5-3-2-4-6-23)26-7-9-29-10-8-26/h11-13H,2-10,14-15H2,1H3,(H,25,27).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 448.95 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 30833944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).