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

C20H25N3O5 — CID 4731137

IUPACN'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C20H25N3O5/c1-18-9-19(2,16(26)21-15(18)25)11-20(3,10-18)17(27)23-22-14(24)12-7-5-6-8-13(12)28-4/h5-8H,9-11H2,1-4H3,(H,22,24)(H,23,27)(H,21,25,26)
InChIKeyBKDUBLHWJXYGCB-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.32
Rot. Bonds3

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

N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide (PubChem CID 4731137) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
PubChem CID4731137
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C20H25N3O5/c1-18-9-19(2,16(26)21-15(18)25)11-20(3,10-18)17(27)23-22-14(24)12-7-5-6-8-13(12)28-4/h5-8H,9-11H2,1-4H3,(H,22,24)(H,23,27)(H,21,25,26)
InChIKeyBKDUBLHWJXYGCB-UHFFFAOYSA-N
XLogP1.32
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728349
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CID 1049928
N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728572
N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide
CID 56694486
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
2-methoxybenzohydrazide
CID 24051
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
3,5-dichloro-N'-(2-methoxybenzoyl)benzohydrazide
CID 17133653
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The IUPAC name of N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide (CID 4731137) is N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide.
What is the SMILES notation for N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The canonical SMILES for N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide is COc1ccccc1C(=O)NNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O.
What is the InChIKey of N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
The InChIKey is BKDUBLHWJXYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-18-9-19(2,16(26)21-15(18)25)11-20(3,10-18)17(27)23-22-14(24)12-7-5-6-8-13(12)28-4/h5-8H,9-11H2,1-4H3,(H,22,24)(H,23,27)(H,21,25,26).
What are the key properties of N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide?
N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide has a molecular weight of 387.44 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide is sourced from PubChem (CID 4731137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).