2-(anthracene-9-carbonylamino)ethyl-triethylazanium

C23H29N2O+ — CID 118566323

IUPAC2-(anthracene-9-carbonylamino)ethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCNC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H28N2O/c1-4-25(5-2,6-3)16-15-24-23(26)22-20-13-9-7-11-18(20)17-19-12-8-10-14-21(19)22/h7-14,17H,4-6,15-16H2,1-3H3/p+1
InChIKeyPUTZOPHLJHQMQO-UHFFFAOYSA-O
MW349.50 g/mol
LogP4.60
Rot. Bonds7

About 2-(anthracene-9-carbonylamino)ethyl-triethylazanium

2-(anthracene-9-carbonylamino)ethyl-triethylazanium (PubChem CID 118566323) has the molecular formula C23H29N2O+ and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(anthracene-9-carbonylamino)ethyl-triethylazanium.

Molecular Properties

Compound Name2-(anthracene-9-carbonylamino)ethyl-triethylazanium
PubChem CID118566323
Molecular FormulaC23H29N2O+
Molecular Weight349.50 g/mol
Exact Mass349.23
IUPAC Name2-(anthracene-9-carbonylamino)ethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCNC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H28N2O/c1-4-25(5-2,6-3)16-15-24-23(26)22-20-13-9-7-11-18(20)17-19-12-8-10-14-21(19)22/h7-14,17H,4-6,15-16H2,1-3H3/p+1
InChIKeyPUTZOPHLJHQMQO-UHFFFAOYSA-O
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide
CID 137492006
N-[2-[bis(2-aminoethyl)amino]ethyl]anthracene-9-carboxamide
CID 102471528
benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
CID 54366535
3-hydroxy-N-propylnaphthalene-1-carboxamide
CID 139771851
N-[3-[[2-[3-[2-(anthracen-9-ylmethylamino)-2-oxoethyl]phenyl]acetyl]amino]propyl]anthracene-9-carboxamide
CID 101355576
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
anthracen-9-yl(triethyl)azanium
CID 118566320
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] anthracene-9-carboxylate
CID 9231199
diethyl-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl]-prop-2-enylazanium iodide
CID 54728780
N-[[(1S,3S)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]anthracene-9-carboxamide
CID 21044033
N-[[2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]anthracene-9-carboxamide
CID 10382680

Frequently Asked Questions

What is the IUPAC name of 2-(anthracene-9-carbonylamino)ethyl-triethylazanium?
The IUPAC name of 2-(anthracene-9-carbonylamino)ethyl-triethylazanium (CID 118566323) is 2-(anthracene-9-carbonylamino)ethyl-triethylazanium.
What is the SMILES notation for 2-(anthracene-9-carbonylamino)ethyl-triethylazanium?
The canonical SMILES for 2-(anthracene-9-carbonylamino)ethyl-triethylazanium is CC[N+](CC)(CC)CCNC(=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(anthracene-9-carbonylamino)ethyl-triethylazanium?
The InChIKey is PUTZOPHLJHQMQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N2O/c1-4-25(5-2,6-3)16-15-24-23(26)22-20-13-9-7-11-18(20)17-19-12-8-10-14-21(19)22/h7-14,17H,4-6,15-16H2,1-3H3/p+1.
What are the key properties of 2-(anthracene-9-carbonylamino)ethyl-triethylazanium?
2-(anthracene-9-carbonylamino)ethyl-triethylazanium has a molecular weight of 349.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracene-9-carbonylamino)ethyl-triethylazanium is sourced from PubChem (CID 118566323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).