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

C29H35N3O6 — CID 53319118

IUPACN-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESCC(C)COc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C29H35N3O6/c1-20(2)19-37-26-16-21(6-7-24(26)30-27(34)18-31-8-12-35-13-9-31)22-4-3-5-23-25(33)17-28(38-29(22)23)32-10-14-36-15-11-32/h3-7,16-17,20H,8-15,18-19H2,1-2H3,(H,30,34)
InChIKeyJNRPKMKRMUTLDI-UHFFFAOYSA-N
MW521.61 g/mol
LogP3.60
Rot. Bonds8

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

N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 53319118) has the molecular formula C29H35N3O6 and a molecular weight of 521.61 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID53319118
Molecular FormulaC29H35N3O6
Molecular Weight521.61 g/mol
Exact Mass521.25
IUPAC NameN-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESCC(C)COc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C29H35N3O6/c1-20(2)19-37-26-16-21(6-7-24(26)30-27(34)18-31-8-12-35-13-9-31)22-4-3-5-23-25(33)17-28(38-29(22)23)32-10-14-36-15-11-32/h3-7,16-17,20H,8-15,18-19H2,1-2H3,(H,30,34)
InChIKeyJNRPKMKRMUTLDI-UHFFFAOYSA-N
XLogP3.60
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (CID 53319118) is N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is CC(C)COc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is JNRPKMKRMUTLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O6/c1-20(2)19-37-26-16-21(6-7-24(26)30-27(34)18-31-8-12-35-13-9-31)22-4-3-5-23-25(33)17-28(38-29(22)23)32-10-14-36-15-11-32/h3-7,16-17,20H,8-15,18-19H2,1-2H3,(H,30,34).
What are the key properties of N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 521.61 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 53319118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).