[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

C17H28N3O2+ — CID 8923638

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCC(=O)NNC(=O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)18-10-16(22)20-19-13(5)21/h6-9,11-12,17-18H,10H2,1-5H3,(H,19,21)(H,20,22)/p+1/t17-/m1/s1
InChIKeyIMOJYCZDPFZJES-QGZVFWFLSA-O
MW306.43 g/mol
LogP1.24
Rot. Bonds6

About [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (PubChem CID 8923638) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
PubChem CID8923638
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCC(=O)NNC(=O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)18-10-16(22)20-19-13(5)21/h6-9,11-12,17-18H,10H2,1-5H3,(H,19,21)(H,20,22)/p+1/t17-/m1/s1
InChIKeyIMOJYCZDPFZJES-QGZVFWFLSA-O
XLogP1.24
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834429
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
CID 8995490
[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923649
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923907
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923899
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129569
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923105
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923109
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8922979
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8834303
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (CID 8923638) is [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is CC(=O)NNC(=O)C[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The InChIKey is IMOJYCZDPFZJES-QGZVFWFLSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)18-10-16(22)20-19-13(5)21/h6-9,11-12,17-18H,10H2,1-5H3,(H,19,21)(H,20,22)/p+1/t17-/m1/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium has a molecular weight of 306.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is sourced from PubChem (CID 8923638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).