tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate

C14H18N4O6 — CID 118158794

IUPACtert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N4O6/c1-14(2,3)24-13(21)15-8-11(19)16-17-12(20)9-4-6-10(7-5-9)18(22)23/h4-7H,8H2,1-3H3,(H,15,21)(H,16,19)(H,17,20)
InChIKeyOJXHJXTYGYWSAO-UHFFFAOYSA-N
MW338.32 g/mol
LogP0.88
Rot. Bonds4

About tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate (PubChem CID 118158794) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate
PubChem CID118158794
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Nametert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N4O6/c1-14(2,3)24-13(21)15-8-11(19)16-17-12(20)9-4-6-10(7-5-9)18(22)23/h4-7H,8H2,1-3H3,(H,15,21)(H,16,19)(H,17,20)
InChIKeyOJXHJXTYGYWSAO-UHFFFAOYSA-N
XLogP0.88
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamoyl]benzoic acid
CID 141383624
2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;4-nitrophenol
CID 70405485
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
tert-butyl N-[[4-[2-(4-nitrophenyl)ethyl]phenyl]methyl]carbamate
CID 174249930
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
4-nitro-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 8869434
tert-butyl N-[2-[2-(4-nitrophenyl)-2-oxoethyl]sulfonylethyl]carbamate
CID 156825304
ditert-butyl 2-[[2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetyl]amino]butanedioate
CID 6736185
2-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]methyl]-4-nitrophenolate
CID 9090996
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170563889

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate (CID 118158794) is tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate?
The InChIKey is OJXHJXTYGYWSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c1-14(2,3)24-13(21)15-8-11(19)16-17-12(20)9-4-6-10(7-5-9)18(22)23/h4-7H,8H2,1-3H3,(H,15,21)(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate has a molecular weight of 338.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate is sourced from PubChem (CID 118158794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).