2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C27H32N2O5 — CID 44588778

IUPAC2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31)
InChIKeyMVRNOBFRDNZTMC-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.57
Rot. Bonds7

About 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 44588778) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID44588778
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31)
InChIKeyMVRNOBFRDNZTMC-UHFFFAOYSA-N
XLogP4.57
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 44588778) is 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is MVRNOBFRDNZTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31).
What are the key properties of 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 464.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylfuran-3-yl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44588778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).