N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide

C16H20N2O3 — CID 56694486

IUPACN'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNC1=CCC(C)(C)CC1=O
InChIInChI=1S/C16H20N2O3/c1-16(2)9-8-12(13(19)10-16)17-18-15(20)11-6-4-5-7-14(11)21-3/h4-8,17H,9-10H2,1-3H3,(H,18,20)
InChIKeyKHLPFSHFKZCIEV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds4

About N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide

N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide (PubChem CID 56694486) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide
PubChem CID56694486
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNC1=CCC(C)(C)CC1=O
InChIInChI=1S/C16H20N2O3/c1-16(2)9-8-12(13(19)10-16)17-18-15(20)11-6-4-5-7-14(11)21-3/h4-8,17H,9-10H2,1-3H3,(H,18,20)
InChIKeyKHLPFSHFKZCIEV-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
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'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928
N'-(2-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728349
N'-(2-methoxybenzoyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbohydrazide
CID 4731137
2-methoxybenzohydrazide
CID 24051
S-(4,4-dimethyl-6-oxocyclohexen-1-yl) 2-chlorobenzenecarbothioate
CID 110191565
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
methyl 4,4-dimethyl-6-oxocyclohexene-1-carboxylate
CID 86157121
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide (CID 56694486) is N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNC1=CCC(C)(C)CC1=O.
What is the InChIKey of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide?
The InChIKey is KHLPFSHFKZCIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2)9-8-12(13(19)10-16)17-18-15(20)11-6-4-5-7-14(11)21-3/h4-8,17H,9-10H2,1-3H3,(H,18,20).
What are the key properties of N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide?
N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethyl-6-oxocyclohexen-1-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 56694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).