[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

C24H27N2O+ — CID 8641105

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-18-14-16-21(17-15-18)22(19-10-6-4-7-11-19)25-23(24(27)26(2)3)20-12-8-5-9-13-20/h4-17,22-23,25H,1-3H3/p+1/t22-,23-/m1/s1
InChIKeyGGLUYEOLRLNXPK-DHIUTWEWSA-O
MW359.49 g/mol
LogP3.48
Rot. Bonds6

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8641105) has the molecular formula C24H27N2O+ and a molecular weight of 359.49 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8641105
Molecular FormulaC24H27N2O+
Molecular Weight359.49 g/mol
Exact Mass359.21
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-18-14-16-21(17-15-18)22(19-10-6-4-7-11-19)25-23(24(27)26(2)3)20-12-8-5-9-13-20/h4-17,22-23,25H,1-3H3/p+1/t22-,23-/m1/s1
InChIKeyGGLUYEOLRLNXPK-DHIUTWEWSA-O
XLogP3.48
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (CID 8641105) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@H]([NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is GGLUYEOLRLNXPK-DHIUTWEWSA-O. The full InChI is InChI=1S/C24H26N2O/c1-18-14-16-21(17-15-18)22(19-10-6-4-7-11-19)25-23(24(27)26(2)3)20-12-8-5-9-13-20/h4-17,22-23,25H,1-3H3/p+1/t22-,23-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 359.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8641105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).