[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium

C18H30N3O2+ — CID 8834429

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
SMILESCC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)NNC(C)=O)C(C)C)cc1
InChIInChI=1S/C18H29N3O2/c1-6-13(4)15-7-9-16(10-8-15)18(12(2)3)19-11-17(23)21-20-14(5)22/h7-10,12-13,18-19H,6,11H2,1-5H3,(H,20,22)(H,21,23)/p+1/t13-,18+/m0/s1
InChIKeyHEYBVAYTUJJTHL-SCLBCKFNSA-O
MW320.46 g/mol
LogP1.63
Rot. Bonds7

About [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium

[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium (PubChem CID 8834429) has the molecular formula C18H30N3O2+ and a molecular weight of 320.46 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
PubChem CID8834429
Molecular FormulaC18H30N3O2+
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
SMILESCC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)NNC(C)=O)C(C)C)cc1
InChIInChI=1S/C18H29N3O2/c1-6-13(4)15-7-9-16(10-8-15)18(12(2)3)19-11-17(23)21-20-14(5)22/h7-10,12-13,18-19H,6,11H2,1-5H3,(H,20,22)(H,21,23)/p+1/t13-,18+/m0/s1
InChIKeyHEYBVAYTUJJTHL-SCLBCKFNSA-O
XLogP1.63
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923638
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8834303
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
CID 8995490
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8834655
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834662
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834546
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]azanium
CID 8834270
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8834313
[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834577
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8834460
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923649

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium (CID 8834429) is [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium is CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)NNC(C)=O)C(C)C)cc1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium?
The InChIKey is HEYBVAYTUJJTHL-SCLBCKFNSA-O. The full InChI is InChI=1S/C18H29N3O2/c1-6-13(4)15-7-9-16(10-8-15)18(12(2)3)19-11-17(23)21-20-14(5)22/h7-10,12-13,18-19H,6,11H2,1-5H3,(H,20,22)(H,21,23)/p+1/t13-,18+/m0/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium?
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium has a molecular weight of 320.46 g/mol, XLogP of 1.63, 7 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)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium is sourced from PubChem (CID 8834429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).