[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium

C20H32N3O2+ — CID 8995490

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
SMILESCC(=O)NNC(=O)C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)20(21-13-19(25)23-22-15(3)24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,14,16,20-21H,4-8,13H2,1-3H3,(H,22,24)(H,23,25)/p+1/t20-/m1/s1
InChIKeyKIAMQJNGLGBGNO-HXUWFJFHSA-O
MW346.50 g/mol
LogP2.16
Rot. Bonds6

About [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium

[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium (PubChem CID 8995490) has the molecular formula C20H32N3O2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
PubChem CID8995490
Molecular FormulaC20H32N3O2+
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
SMILESCC(=O)NNC(=O)C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C20H31N3O2/c1-14(2)20(21-13-19(25)23-22-15(3)24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,14,16,20-21H,4-8,13H2,1-3H3,(H,22,24)(H,23,25)/p+1/t20-/m1/s1
InChIKeyKIAMQJNGLGBGNO-HXUWFJFHSA-O
XLogP2.16
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.16
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

[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8995510
[(1S)-1-(4-cyclohexylphenyl)-2-methylpropyl]-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8995508
[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
CID 8995475
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133689
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129569
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8995556
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
CID 116859922

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium (CID 8995490) is [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium is CC(=O)NNC(=O)C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
The InChIKey is KIAMQJNGLGBGNO-HXUWFJFHSA-O. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)20(21-13-19(25)23-22-15(3)24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,14,16,20-21H,4-8,13H2,1-3H3,(H,22,24)(H,23,25)/p+1/t20-/m1/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium has a molecular weight of 346.50 g/mol, XLogP of 2.16, 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)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 8995490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).