N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

C19H24N2O3 — CID 4728572

IUPACN'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C2(C(=O)NNC(=O)c3ccccc3OC)CCC(C2)C1(C)C
InChIInChI=1S/C19H24N2O3/c1-12-18(2,3)13-9-10-19(12,11-13)17(23)21-20-16(22)14-7-5-6-8-15(14)24-4/h5-8,13H,1,9-11H2,2-4H3,(H,20,22)(H,21,23)
InChIKeyHLHISTLMBCASGN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.84
Rot. Bonds3

About N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 4728572) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID4728572
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C2(C(=O)NNC(=O)c3ccccc3OC)CCC(C2)C1(C)C
InChIInChI=1S/C19H24N2O3/c1-12-18(2,3)13-9-10-19(12,11-13)17(23)21-20-16(22)14-7-5-6-8-15(14)24-4/h5-8,13H,1,9-11H2,2-4H3,(H,20,22)(H,21,23)
InChIKeyHLHISTLMBCASGN-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50903596
methyl 2-[[(1R,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 906543
(1R,4S)-N-(2-methoxyphenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98137952
(1S,4S)-N-(3,4-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 7123925
(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 135956704
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086099
N'-(2-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728349
[4-[(1R,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51592613
N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
CID 4731137
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
(1S,4R)-N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98132705
3,3-dimethyl-2-methylidene-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 2972478

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (CID 4728572) is N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is C=C1C2(C(=O)NNC(=O)c3ccccc3OC)CCC(C2)C1(C)C.
What is the InChIKey of N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is HLHISTLMBCASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-18(2,3)13-9-10-19(12,11-13)17(23)21-20-16(22)14-7-5-6-8-15(14)24-4/h5-8,13H,1,9-11H2,2-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 328.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 4728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).