N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide

C23H23NO4 — CID 57380655

IUPACN-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
SMILESCOC1=C(CC(C)(C)CNC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23NO4/c1-23(2,14-24-22(27)15-9-5-4-6-10-15)13-18-19(25)16-11-7-8-12-17(16)20(26)21(18)28-3/h4-12H,13-14H2,1-3H3,(H,24,27)
InChIKeyYKCFBMKXEZJBJV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.81
Rot. Bonds6

About N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide

N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide (PubChem CID 57380655) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
PubChem CID57380655
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
SMILESCOC1=C(CC(C)(C)CNC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23NO4/c1-23(2,14-24-22(27)15-9-5-4-6-10-15)13-18-19(25)16-11-7-8-12-17(16)20(26)21(18)28-3/h4-12H,13-14H2,1-3H3,(H,24,27)
InChIKeyYKCFBMKXEZJBJV-UHFFFAOYSA-N
XLogP3.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoylamino]-2-phenylacetate
CID 142457303
methyl (2S)-2-[4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoylamino]-2-phenylacetate
CID 146553274
N-[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
CID 57380422
2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
CID 57380656
N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]naphthalene-2-carboxamide
CID 57380657
2-Butyl-5-methoxy-7-phenylbenzo[de]isoquinoline-1,6-dione
CID 11783331
2-benzoyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 2885836
(1R,6S,7R)-N-benzyl-3-methoxy-7-methyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide
CID 44239477
N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide
CID 162645538
2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 895445
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
CID 47071148
(4bR,9S,9aS)-N-benzyl-7-methoxy-9a-methyl-6-oxo-4b,5,9,10-tetrahydrobenzo[a]azulene-9-carboxamide
CID 49858639

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
The IUPAC name of N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide (CID 57380655) is N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
The canonical SMILES for N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide is COC1=C(CC(C)(C)CNC(=O)c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
The InChIKey is YKCFBMKXEZJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-23(2,14-24-22(27)15-9-5-4-6-10-15)13-18-19(25)16-11-7-8-12-17(16)20(26)21(18)28-3/h4-12H,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 57380655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).