N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide

C21H33NO2 — CID 22992855

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCC2CCCC2(C)C)cc1
InChIInChI=1S/C21H33NO2/c1-4-5-6-7-15-24-19-12-10-17(11-13-19)20(23)22-16-18-9-8-14-21(18,2)3/h10-13,18H,4-9,14-16H2,1-3H3,(H,22,23)
InChIKeyQTRFMUNULDZMGC-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.20
Rot. Bonds9

About N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide

N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide (PubChem CID 22992855) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
PubChem CID22992855
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCC2CCCC2(C)C)cc1
InChIInChI=1S/C21H33NO2/c1-4-5-6-7-15-24-19-12-10-17(11-13-19)20(23)22-16-18-9-8-14-21(18,2)3/h10-13,18H,4-9,14-16H2,1-3H3,(H,22,23)
InChIKeyQTRFMUNULDZMGC-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 21361598
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
N-cyano-N'-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzenecarboximidamide
CID 59913456
4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
CID 59913448
4-butoxy-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412206
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
4-heptoxy-N-methylbenzamide
CID 3291691
N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxybenzamide
CID 4934068
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide (CID 22992855) is N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NCC2CCCC2(C)C)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide?
The InChIKey is QTRFMUNULDZMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-4-5-6-7-15-24-19-12-10-17(11-13-19)20(23)22-16-18-9-8-14-21(18,2)3/h10-13,18H,4-9,14-16H2,1-3H3,(H,22,23).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide?
N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide has a molecular weight of 331.50 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide is sourced from PubChem (CID 22992855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).