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

C30H35N3O6 — CID 53323077

IUPACN-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCC1CCC1
InChIInChI=1S/C30H35N3O6/c34-26-18-29(33-11-15-37-16-12-33)39-30-23(5-2-6-24(26)30)22-7-8-25(27(17-22)38-20-21-3-1-4-21)31-28(35)19-32-9-13-36-14-10-32/h2,5-8,17-18,21H,1,3-4,9-16,19-20H2,(H,31,35)
InChIKeyHWVZGRVXWDKHFX-UHFFFAOYSA-N
MW533.63 g/mol
LogP3.75
Rot. Bonds8

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

N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 53323077) has the molecular formula C30H35N3O6 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID53323077
Molecular FormulaC30H35N3O6
Molecular Weight533.63 g/mol
Exact Mass533.25
IUPAC NameN-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCC1CCC1
InChIInChI=1S/C30H35N3O6/c34-26-18-29(33-11-15-37-16-12-33)39-30-23(5-2-6-24(26)30)22-7-8-25(27(17-22)38-20-21-3-1-4-21)31-28(35)19-32-9-13-36-14-10-32/h2,5-8,17-18,21H,1,3-4,9-16,19-20H2,(H,31,35)
InChIKeyHWVZGRVXWDKHFX-UHFFFAOYSA-N
XLogP3.75
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide (CID 53323077) is N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCC1CCC1.
What is the InChIKey of N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is HWVZGRVXWDKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6/c34-26-18-29(33-11-15-37-16-12-33)39-30-23(5-2-6-24(26)30)22-7-8-25(27(17-22)38-20-21-3-1-4-21)31-28(35)19-32-9-13-36-14-10-32/h2,5-8,17-18,21H,1,3-4,9-16,19-20H2,(H,31,35).
What are the key properties of N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 533.63 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclobutylmethoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 53323077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).