[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

C24H29N2O+ — CID 9045143

IUPAC[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESCCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-4-26(5-2)24(27)23(20-13-7-6-8-14-20)25-18(3)21-17-11-15-19-12-9-10-16-22(19)21/h6-18,23,25H,4-5H2,1-3H3/p+1/t18-,23-/m1/s1
InChIKeySPIZHXVXESFANK-WZONZLPQSA-O
MW361.51 g/mol
LogP4.07
Rot. Bonds7

About [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium

[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium (PubChem CID 9045143) has the molecular formula C24H29N2O+ and a molecular weight of 361.51 g/mol. Its IUPAC name is [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
PubChem CID9045143
Molecular FormulaC24H29N2O+
Molecular Weight361.51 g/mol
Exact Mass361.23
IUPAC Name[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESCCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-4-26(5-2)24(27)23(20-13-7-6-8-14-20)25-18(3)21-17-11-15-19-12-9-10-16-22(19)21/h6-18,23,25H,4-5H2,1-3H3/p+1/t18-,23-/m1/s1
InChIKeySPIZHXVXESFANK-WZONZLPQSA-O
XLogP4.07
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium (CID 9045143) is [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium is CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is SPIZHXVXESFANK-WZONZLPQSA-O. The full InChI is InChI=1S/C24H28N2O/c1-4-26(5-2)24(27)23(20-13-7-6-8-14-20)25-18(3)21-17-11-15-19-12-9-10-16-22(19)21/h6-18,23,25H,4-5H2,1-3H3/p+1/t18-,23-/m1/s1.
What are the key properties of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 361.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 9045143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).