4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide

C23H36N2O2 — CID 146397920

IUPAC4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide
SMILESCCC1(C(C)N(C)Cc2ccc(C(=O)NO)cc2)CC2CC(C)CC(C2)C1
InChIInChI=1S/C23H36N2O2/c1-5-23(13-19-10-16(2)11-20(12-19)14-23)17(3)25(4)15-18-6-8-21(9-7-18)22(26)24-27/h6-9,16-17,19-20,27H,5,10-15H2,1-4H3,(H,24,26)
InChIKeyYFFNJGHLURZWCC-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.87
Rot. Bonds6

About 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide

4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide (PubChem CID 146397920) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide
PubChem CID146397920
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide
SMILESCCC1(C(C)N(C)Cc2ccc(C(=O)NO)cc2)CC2CC(C)CC(C2)C1
InChIInChI=1S/C23H36N2O2/c1-5-23(13-19-10-16(2)11-20(12-19)14-23)17(3)25(4)15-18-6-8-21(9-7-18)22(26)24-27/h6-9,16-17,19-20,27H,5,10-15H2,1-4H3,(H,24,26)
InChIKeyYFFNJGHLURZWCC-UHFFFAOYSA-N
XLogP4.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
CID 158933616
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
(E)-3-[4-[[1-adamantyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118699484
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227491
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
CID 64866924
N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide
CID 6369862
N-hydroxy-4-[[1-[3-[1-[[4-(hydroxycarbamoyl)phenyl]methylamino]-2-adamantyl]-1-adamantyl]ethylamino]methyl]benzamide
CID 167053482
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide (CID 146397920) is 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide is CCC1(C(C)N(C)Cc2ccc(C(=O)NO)cc2)CC2CC(C)CC(C2)C1.
What is the InChIKey of 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide?
The InChIKey is YFFNJGHLURZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-5-23(13-19-10-16(2)11-20(12-19)14-23)17(3)25(4)15-18-6-8-21(9-7-18)22(26)24-27/h6-9,16-17,19-20,27H,5,10-15H2,1-4H3,(H,24,26).
What are the key properties of 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide?
4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide has a molecular weight of 372.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 146397920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).