2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide

C28H31N3O6 — CID 53323075

IUPAC2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide
SMILESC=CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C28H31N3O6/c1-2-12-36-25-17-20(6-7-23(25)29-26(33)19-30-8-13-34-14-9-30)21-4-3-5-22-24(32)18-27(37-28(21)22)31-10-15-35-16-11-31/h2-7,17-18H,1,8-16,19H2,(H,29,33)
InChIKeyNGMBEJKZRRVAGQ-UHFFFAOYSA-N
MW505.57 g/mol
LogP3.13
Rot. Bonds8

About 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide

2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide (PubChem CID 53323075) has the molecular formula C28H31N3O6 and a molecular weight of 505.57 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide
PubChem CID53323075
Molecular FormulaC28H31N3O6
Molecular Weight505.57 g/mol
Exact Mass505.22
IUPAC Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide
SMILESC=CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C28H31N3O6/c1-2-12-36-25-17-20(6-7-23(25)29-26(33)19-30-8-13-34-14-9-30)21-4-3-5-22-24(32)18-27(37-28(21)22)31-10-15-35-16-11-31/h2-7,17-18H,1,8-16,19H2,(H,29,33)
InChIKeyNGMBEJKZRRVAGQ-UHFFFAOYSA-N
XLogP3.13
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide (CID 53323075) is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide is C=CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide?
The InChIKey is NGMBEJKZRRVAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6/c1-2-12-36-25-17-20(6-7-23(25)29-26(33)19-30-8-13-34-14-9-30)21-4-3-5-22-24(32)18-27(37-28(21)22)31-10-15-35-16-11-31/h2-7,17-18H,1,8-16,19H2,(H,29,33).
What are the key properties of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide?
2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide has a molecular weight of 505.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-prop-2-enoxyphenyl]acetamide is sourced from PubChem (CID 53323075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).