trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium

C24H33N2O2+ — CID 161011126

IUPACtrimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium
SMILESCc1ccc(C(=O)NCc2ccc(CC(=O)CCCC[N+](C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-8-14-22(15-9-19)24(28)25-18-21-12-10-20(11-13-21)17-23(27)7-5-6-16-26(2,3)4/h8-15H,5-7,16-18H2,1-4H3/p+1
InChIKeyRIHAYQACZJPWPB-UHFFFAOYSA-O
MW381.54 g/mol
LogP3.91
Rot. Bonds10

About trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium

trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium (PubChem CID 161011126) has the molecular formula C24H33N2O2+ and a molecular weight of 381.54 g/mol. Its IUPAC name is trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium.

Molecular Properties

Compound Nametrimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium
PubChem CID161011126
Molecular FormulaC24H33N2O2+
Molecular Weight381.54 g/mol
Exact Mass381.25
IUPAC Nametrimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium
SMILESCc1ccc(C(=O)NCc2ccc(CC(=O)CCCC[N+](C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-8-14-22(15-9-19)24(28)25-18-21-12-10-20(11-13-21)17-23(27)7-5-6-16-26(2,3)4/h8-15H,5-7,16-18H2,1-4H3/p+1
InChIKeyRIHAYQACZJPWPB-UHFFFAOYSA-O
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium?
The IUPAC name of trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium (CID 161011126) is trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium.
What is the SMILES notation for trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium?
The canonical SMILES for trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium is Cc1ccc(C(=O)NCc2ccc(CC(=O)CCCC[N+](C)(C)C)cc2)cc1.
What is the InChIKey of trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium?
The InChIKey is RIHAYQACZJPWPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N2O2/c1-19-8-14-22(15-9-19)24(28)25-18-21-12-10-20(11-13-21)17-23(27)7-5-6-16-26(2,3)4/h8-15H,5-7,16-18H2,1-4H3/p+1.
What are the key properties of trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium?
trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium has a molecular weight of 381.54 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-[4-[[(4-methylbenzoyl)amino]methyl]phenyl]-5-oxohexyl]azanium is sourced from PubChem (CID 161011126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).