[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium

C21H30N3O3+ — CID 9129533

IUPAC[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H29N3O3/c1-14(2)19(15-8-10-16(11-9-15)21(3,4)5)22-13-18(25)23-24-20(26)17-7-6-12-27-17/h6-12,14,19,22H,13H2,1-5H3,(H,23,25)(H,24,26)/p+1/t19-/m0/s1
InChIKeyACPZNKXEULCUMX-IBGZPJMESA-O
MW372.49 g/mol
LogP2.30
Rot. Bonds6

About [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium

[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium (PubChem CID 9129533) has the molecular formula C21H30N3O3+ and a molecular weight of 372.49 g/mol. Its IUPAC name is [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
PubChem CID9129533
Molecular FormulaC21H30N3O3+
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H29N3O3/c1-14(2)19(15-8-10-16(11-9-15)21(3,4)5)22-13-18(25)23-24-20(26)17-7-6-12-27-17/h6-12,14,19,22H,13H2,1-5H3,(H,23,25)(H,24,26)/p+1/t19-/m0/s1
InChIKeyACPZNKXEULCUMX-IBGZPJMESA-O
XLogP2.30
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970450
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129569
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8643284
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8599162
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129818
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923638
[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
CID 9129510
(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6926226
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 42944416

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium (CID 9129533) is [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium is CC(C)[C@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The InChIKey is ACPZNKXEULCUMX-IBGZPJMESA-O. The full InChI is InChI=1S/C21H29N3O3/c1-14(2)19(15-8-10-16(11-9-15)21(3,4)5)22-13-18(25)23-24-20(26)17-7-6-12-27-17/h6-12,14,19,22H,13H2,1-5H3,(H,23,25)(H,24,26)/p+1/t19-/m0/s1.
What are the key properties of [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium has a molecular weight of 372.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium is sourced from PubChem (CID 9129533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).