N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide

C19H24N2O4 — CID 4728354

IUPACN'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1
InChIInChI=1S/C19H24N2O4/c1-17(2)18(3)9-10-19(17,11-14(18)22)16(24)21-20-15(23)12-5-7-13(25-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyOBAMFKKBOIZPIV-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.24
Rot. Bonds3

About N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide

N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 4728354) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID4728354
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1
InChIInChI=1S/C19H24N2O4/c1-17(2)18(3)9-10-19(17,11-14(18)22)16(24)21-20-15(23)12-5-7-13(25-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyOBAMFKKBOIZPIV-UHFFFAOYSA-N
XLogP2.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928915
(1R,4S)-N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 887118
(4-methoxycarbonylphenyl) (1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 7366746
methyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 2920895
4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 2975634
(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6933722
4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501
(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98161223
N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332
N'-(4-fluorobenzoyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
CID 2975449

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide (CID 4728354) is N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide is COc1ccc(C(=O)NNC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is OBAMFKKBOIZPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-17(2)18(3)9-10-19(17,11-14(18)22)16(24)21-20-15(23)12-5-7-13(25-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 344.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 4728354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).