dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium

C24H27N2O2+ — CID 9069574

IUPACdimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium
SMILESC[NH+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O2/c1-26(2)17-22-10-6-5-9-21(22)16-25-24(28)14-13-23(27)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15H,13-14,16-17H2,1-2H3,(H,25,28)/p+1
InChIKeyGIGHAQLGLLFMOB-UHFFFAOYSA-O
MW375.49 g/mol
LogP2.76
Rot. Bonds8

About dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium

dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium (PubChem CID 9069574) has the molecular formula C24H27N2O2+ and a molecular weight of 375.49 g/mol. Its IUPAC name is dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium
PubChem CID9069574
Molecular FormulaC24H27N2O2+
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Namedimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium
SMILESC[NH+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O2/c1-26(2)17-22-10-6-5-9-21(22)16-25-24(28)14-13-23(27)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15H,13-14,16-17H2,1-2H3,(H,25,28)/p+1
InChIKeyGIGHAQLGLLFMOB-UHFFFAOYSA-O
XLogP2.76
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium with MolForge

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Related Compounds

N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
CID 9104803
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
N-cyclopropyl-2-[2-(4-naphthalen-2-yl-4-oxobutanoyl)hydrazinyl]-2-oxoacetamide
CID 8532575
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
dimethyl-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
CID 9417627

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium?
The IUPAC name of dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium (CID 9069574) is dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium is C[NH+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium?
The InChIKey is GIGHAQLGLLFMOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N2O2/c1-26(2)17-22-10-6-5-9-21(22)16-25-24(28)14-13-23(27)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15H,13-14,16-17H2,1-2H3,(H,25,28)/p+1.
What are the key properties of dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium?
dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium has a molecular weight of 375.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[2-[[(4-naphthalen-2-yl-4-oxobutanoyl)amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9069574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).