1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide

C19H24N4O5 — CID 4731224

IUPAC1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
SMILESCN1C(=O)C2(C)CC(C)(C(=O)NNc3ccc([N+](=O)[O-])cc3)CC(C)(C2)C1=O
InChIInChI=1S/C19H24N4O5/c1-17(14(24)21-20-12-5-7-13(8-6-12)23(27)28)9-18(2)11-19(3,10-17)16(26)22(4)15(18)25/h5-8,20H,9-11H2,1-4H3,(H,21,24)
InChIKeyGUUANTQGWUUGRK-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.24
Rot. Bonds4

About 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide

1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide (PubChem CID 4731224) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
PubChem CID4731224
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
SMILESCN1C(=O)C2(C)CC(C)(C(=O)NNc3ccc([N+](=O)[O-])cc3)CC(C)(C2)C1=O
InChIInChI=1S/C19H24N4O5/c1-17(14(24)21-20-12-5-7-13(8-6-12)23(27)28)9-18(2)11-19(3,10-17)16(26)22(4)15(18)25/h5-8,20H,9-11H2,1-4H3,(H,21,24)
InChIKeyGUUANTQGWUUGRK-UHFFFAOYSA-N
XLogP2.24
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3,5,7-tetramethyl-N-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731255
N'-(4-chloro-3-nitrobenzoyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
CID 4731288
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
CID 117061946
N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
CID 141450120
(1S,3R,6S,7R)-6,7-dimethyl-N'-(4-nitrophenyl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carbohydrazide
CID 98383216
(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 98215452
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
(4-nitroanilino) carbonochloridate
CID 123545253
2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
CID 71375183
(4-nitrophenyl)methyl N-(4-nitroanilino)carbamodithioate
CID 15397959
1-(4-nitrophenyl)-2-propan-2-ylhydrazine
CID 101164865
N'-methyl-N-(4-nitroanilino)benzenecarboximidamide
CID 14906458

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The IUPAC name of 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide (CID 4731224) is 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide.
What is the SMILES notation for 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The canonical SMILES for 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide is CN1C(=O)C2(C)CC(C)(C(=O)NNc3ccc([N+](=O)[O-])cc3)CC(C)(C2)C1=O.
What is the InChIKey of 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The InChIKey is GUUANTQGWUUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-17(14(24)21-20-12-5-7-13(8-6-12)23(27)28)9-18(2)11-19(3,10-17)16(26)22(4)15(18)25/h5-8,20H,9-11H2,1-4H3,(H,21,24).
What are the key properties of 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide has a molecular weight of 388.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-N'-(4-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide is sourced from PubChem (CID 4731224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).