N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide

C21H20N2O4 — CID 11674984

IUPACN-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c1
InChIInChI=1S/C21H20N2O4/c1-14(24)22-17-4-2-3-15(11-17)16-5-6-20-18(12-16)19(25)13-21(27-20)23-7-9-26-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
InChIKeyLXBYFQPINRGCKT-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.26
Rot. Bonds3

About N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide

N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide (PubChem CID 11674984) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide
PubChem CID11674984
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c1
InChIInChI=1S/C21H20N2O4/c1-14(24)22-17-4-2-3-15(11-17)16-5-6-20-18(12-16)19(25)13-21(27-20)23-7-9-26-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
InChIKeyLXBYFQPINRGCKT-UHFFFAOYSA-N
XLogP3.26
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide (CID 11674984) is N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c1.
What is the InChIKey of N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide?
The InChIKey is LXBYFQPINRGCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(24)22-17-4-2-3-15(11-17)16-5-6-20-18(12-16)19(25)13-21(27-20)23-7-9-26-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24).
What are the key properties of N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide?
N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide has a molecular weight of 364.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-morpholin-4-yl-4-oxochromen-6-yl)phenyl]acetamide is sourced from PubChem (CID 11674984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).