2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide

C25H28N2O3 — CID 11545898

IUPAC2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
SMILESCNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)C)c3)ccc2c1
InChIInChI=1S/C25H28N2O3/c1-15(2)21-14-19(10-11-22(21)30-5)17-6-7-18-13-20(9-8-16(18)12-17)23(24(28)26-3)25(29)27-4/h6-15,23H,1-5H3,(H,26,28)(H,27,29)
InChIKeyQSKHFQSHDXURPU-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.21
Rot. Bonds6

About 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide

2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide (PubChem CID 11545898) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide.

Molecular Properties

Compound Name2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
PubChem CID11545898
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
SMILESCNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)C)c3)ccc2c1
InChIInChI=1S/C25H28N2O3/c1-15(2)21-14-19(10-11-22(21)30-5)17-6-7-18-13-20(9-8-16(18)12-17)23(24(28)26-3)25(29)27-4/h6-15,23H,1-5H3,(H,26,28)(H,27,29)
InChIKeyQSKHFQSHDXURPU-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial
CID 143134506
2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
CID 161052261
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953316
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
2-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116847004
2-(4-methoxy-3-propan-2-ylphenyl)-3-oxobutanenitrile
CID 82115825

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
The IUPAC name of 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide (CID 11545898) is 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide.
What is the SMILES notation for 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
The canonical SMILES for 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide is CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)C)c3)ccc2c1.
What is the InChIKey of 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
The InChIKey is QSKHFQSHDXURPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-15(2)21-14-19(10-11-22(21)30-5)17-6-7-18-13-20(9-8-16(18)12-17)23(24(28)26-3)25(29)27-4/h6-15,23H,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide has a molecular weight of 404.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide is sourced from PubChem (CID 11545898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).