cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium

C27H38N3O2+ — CID 2394747

IUPACcycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)C1CCCCCC1
InChIInChI=1S/C27H37N3O2/c1-19-11-9-12-20(2)26(19)28-24(31)17-30(23-15-7-5-6-8-16-23)18-25(32)29-27-21(3)13-10-14-22(27)4/h9-14,23H,5-8,15-18H2,1-4H3,(H,28,31)(H,29,32)/p+1
InChIKeyQYTHFXHEPKSOAJ-UHFFFAOYSA-O
MW436.62 g/mol
LogP4.11
Rot. Bonds7

About cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium

cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium (PubChem CID 2394747) has the molecular formula C27H38N3O2+ and a molecular weight of 436.62 g/mol. Its IUPAC name is cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
PubChem CID2394747
Molecular FormulaC27H38N3O2+
Molecular Weight436.62 g/mol
Exact Mass436.30
IUPAC Namecycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)C1CCCCCC1
InChIInChI=1S/C27H37N3O2/c1-19-11-9-12-20(2)26(19)28-24(31)17-30(23-15-7-5-6-8-16-23)18-25(32)29-27-21(3)13-10-14-22(27)4/h9-14,23H,5-8,15-18H2,1-4H3,(H,28,31)(H,29,32)/p+1
InChIKeyQYTHFXHEPKSOAJ-UHFFFAOYSA-O
XLogP4.11
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8902222
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221937
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8793858
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The IUPAC name of cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium (CID 2394747) is cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The canonical SMILES for cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium is Cc1cccc(C)c1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)C1CCCCCC1.
What is the InChIKey of cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The InChIKey is QYTHFXHEPKSOAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H37N3O2/c1-19-11-9-12-20(2)26(19)28-24(31)17-30(23-15-7-5-6-8-16-23)18-25(32)29-27-21(3)13-10-14-22(27)4/h9-14,23H,5-8,15-18H2,1-4H3,(H,28,31)(H,29,32)/p+1.
What are the key properties of cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium has a molecular weight of 436.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2394747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).