tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate

C16H23N3O4 — CID 9471691

IUPACtert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)17-11-7-10-13(20)18-19-14(21)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyGYQYKFDWEHZIGY-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate

tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate (PubChem CID 9471691) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
PubChem CID9471691
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nametert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)17-11-7-10-13(20)18-19-14(21)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyGYQYKFDWEHZIGY-UHFFFAOYSA-N
XLogP1.75
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamoyl]benzoic acid
CID 141383624
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
tert-butyl N-[4-oxo-4-[[(2S)-2-phenylpropyl]amino]butyl]carbamate
CID 9427328
tert-butyl N-[4-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 9256746
tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate
CID 173385151
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
N'-octanoylbenzohydrazide
CID 4227469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate (CID 9471691) is tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate?
The InChIKey is GYQYKFDWEHZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)17-11-7-10-13(20)18-19-14(21)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate is sourced from PubChem (CID 9471691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).