[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

C19H25N2O2+ — CID 9131601

IUPAC[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)19(15-7-5-4-6-8-15)20-13-18(22)21-16-9-11-17(23-3)12-10-16/h4-12,14,19-20H,13H2,1-3H3,(H,21,22)/p+1/t19-/m1/s1
InChIKeyZKWDZMZRDUOIDW-LJQANCHMSA-O
MW313.42 g/mol
LogP2.59
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9131601) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
PubChem CID9131601
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)19(15-7-5-4-6-8-15)20-13-18(22)21-16-9-11-17(23-3)12-10-16/h4-12,14,19-20H,13H2,1-3H3,(H,21,22)/p+1/t19-/m1/s1
InChIKeyZKWDZMZRDUOIDW-LJQANCHMSA-O
XLogP2.59
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
CID 9133102
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8922979
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (CID 9131601) is [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is ZKWDZMZRDUOIDW-LJQANCHMSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)19(15-7-5-4-6-8-15)20-13-18(22)21-16-9-11-17(23-3)12-10-16/h4-12,14,19-20H,13H2,1-3H3,(H,21,22)/p+1/t19-/m1/s1.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 313.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9131601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).