N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

C26H28N2O5 — CID 15993463

IUPACN-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCCCCOc1ccc(N(C(C)=O)C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H28N2O5/c1-3-4-15-33-20-11-9-19(10-12-20)28(18(2)29)24-23(27-13-16-32-17-14-27)25(30)21-7-5-6-8-22(21)26(24)31/h5-12H,3-4,13-17H2,1-2H3
InChIKeyCSVUUOIXRVBVST-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.84
Rot. Bonds7

About N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (PubChem CID 15993463) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
PubChem CID15993463
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC NameN-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCCCCOc1ccc(N(C(C)=O)C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H28N2O5/c1-3-4-15-33-20-11-9-19(10-12-20)28(18(2)29)24-23(27-13-16-32-17-14-27)25(30)21-7-5-6-8-22(21)26(24)31/h5-12H,3-4,13-17H2,1-2H3
InChIKeyCSVUUOIXRVBVST-UHFFFAOYSA-N
XLogP3.84
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The IUPAC name of N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (CID 15993463) is N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is CCCCOc1ccc(N(C(C)=O)C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The InChIKey is CSVUUOIXRVBVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-3-4-15-33-20-11-9-19(10-12-20)28(18(2)29)24-23(27-13-16-32-17-14-27)25(30)21-7-5-6-8-22(21)26(24)31/h5-12H,3-4,13-17H2,1-2H3.
What are the key properties of N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is sourced from PubChem (CID 15993463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).