N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide

C27H31N3O6 — CID 53324426

IUPACN-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C27H31N3O6/c1-2-35-24-16-19(6-7-22(24)28-25(32)18-29-8-12-33-13-9-29)20-4-3-5-21-23(31)17-26(36-27(20)21)30-10-14-34-15-11-30/h3-7,16-17H,2,8-15,18H2,1H3,(H,28,32)
InChIKeyRMKWCFQVLOKCHU-UHFFFAOYSA-N
MW493.56 g/mol
LogP2.97
Rot. Bonds7

About N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide

N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 53324426) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID53324426
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC NameN-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESCCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C27H31N3O6/c1-2-35-24-16-19(6-7-22(24)28-25(32)18-29-8-12-33-13-9-29)20-4-3-5-21-23(31)17-26(36-27(20)21)30-10-14-34-15-11-30/h3-7,16-17H,2,8-15,18H2,1H3,(H,28,32)
InChIKeyRMKWCFQVLOKCHU-UHFFFAOYSA-N
XLogP2.97
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (CID 53324426) is N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is RMKWCFQVLOKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-2-35-24-16-19(6-7-22(24)28-25(32)18-29-8-12-33-13-9-29)20-4-3-5-21-23(31)17-26(36-27(20)21)30-10-14-34-15-11-30/h3-7,16-17H,2,8-15,18H2,1H3,(H,28,32).
What are the key properties of N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 493.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 53324426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).