[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

C24H33N2O+ — CID 8858951

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
SMILESCCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H32N2O/c1-4-18-11-8-12-19(5-2)24(18)26-23(27)16-25-17(3)21-14-13-20-9-6-7-10-22(20)15-21/h8,11-15,17,25H,4-7,9-10,16H2,1-3H3,(H,26,27)/p+1/t17-/m0/s1
InChIKeyKMTVBYVMGGVBKY-KRWDZBQOSA-O
MW365.54 g/mol
LogP3.95
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium (PubChem CID 8858951) has the molecular formula C24H33N2O+ and a molecular weight of 365.54 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
PubChem CID8858951
Molecular FormulaC24H33N2O+
Molecular Weight365.54 g/mol
Exact Mass365.26
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
SMILESCCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H32N2O/c1-4-18-11-8-12-19(5-2)24(18)26-23(27)16-25-17(3)21-14-13-20-9-6-7-10-22(20)15-21/h8,11-15,17,25H,4-7,9-10,16H2,1-3H3,(H,26,27)/p+1/t17-/m0/s1
InChIKeyKMTVBYVMGGVBKY-KRWDZBQOSA-O
XLogP3.95
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium (CID 8858951) is [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium is CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
The InChIKey is KMTVBYVMGGVBKY-KRWDZBQOSA-O. The full InChI is InChI=1S/C24H32N2O/c1-4-18-11-8-12-19(5-2)24(18)26-23(27)16-25-17(3)21-14-13-20-9-6-7-10-22(20)15-21/h8,11-15,17,25H,4-7,9-10,16H2,1-3H3,(H,26,27)/p+1/t17-/m0/s1.
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
[2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium has a molecular weight of 365.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium is sourced from PubChem (CID 8858951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).