tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate

C15H20N4O6 — CID 122528339

IUPACtert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N4O6/c1-15(2,3)25-13(21)9-8-12(20)17-18-14(22)16-10-4-6-11(7-5-10)19(23)24/h4-7H,8-9H2,1-3H3,(H,17,20)(H2,16,18,22)
InChIKeyURRYEKLEDGZBNP-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.87
Rot. Bonds5

About tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate

tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate (PubChem CID 122528339) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate
PubChem CID122528339
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Nametert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H20N4O6/c1-15(2,3)25-13(21)9-8-12(20)17-18-14(22)16-10-4-6-11(7-5-10)19(23)24/h4-7H,8-9H2,1-3H3,(H,17,20)(H2,16,18,22)
InChIKeyURRYEKLEDGZBNP-UHFFFAOYSA-N
XLogP1.87
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.87
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

tert-butyl N-[(4-nitrophenyl)carbamothioylamino]carbamate
CID 7987756
1-(4-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871035
1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
CID 4074557
(4-nitrophenyl)methyl 4-(4-methylanilino)-4-oxobutanoate
CID 3961538
(4-tert-butylcyclohexyl) 4-(4-nitroanilino)-4-oxobutanoate
CID 2827365
(4-nitrophenyl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 1310146
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(4-nitrophenyl)urea
CID 103916786
2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanoic acid
CID 61263044
tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate
CID 106707086
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
1-(2-hydroxy-2-methylbutyl)-3-(4-nitrophenyl)urea
CID 62651901

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate (CID 122528339) is tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate?
The InChIKey is URRYEKLEDGZBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6/c1-15(2,3)25-13(21)9-8-12(20)17-18-14(22)16-10-4-6-11(7-5-10)19(23)24/h4-7H,8-9H2,1-3H3,(H,17,20)(H2,16,18,22).
What are the key properties of tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate?
tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate has a molecular weight of 352.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4-nitrophenyl)carbamoyl]hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 122528339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).