N-hexyl-4-methoxy(11C)benzamide

C14H21NO2 — CID 177422178

IUPACN-hexyl-4-methoxy(11C)benzamide
SMILESCCCCCCN[11C](=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-11-15-14(16)12-7-9-13(17-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,15,16)/i14-1
InChIKeyQIINXNUWICTDPH-UMSOTBISSA-N
MW234.33 g/mol
LogP3.01
Rot. Bonds7

About N-hexyl-4-methoxy(11C)benzamide

N-hexyl-4-methoxy(11C)benzamide (PubChem CID 177422178) has the molecular formula C14H21NO2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N-hexyl-4-methoxy(11C)benzamide.

Molecular Properties

Compound NameN-hexyl-4-methoxy(11C)benzamide
PubChem CID177422178
Molecular FormulaC14H21NO2
Molecular Weight234.33 g/mol
Exact Mass234.17
IUPAC NameN-hexyl-4-methoxy(11C)benzamide
SMILESCCCCCCN[11C](=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-11-15-14(16)12-7-9-13(17-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,15,16)/i14-1
InChIKeyQIINXNUWICTDPH-UMSOTBISSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 53.01
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

4-methoxy-N-nonylbenzamide
CID 3557385
4-methoxy-N-pentylbenzamide
CID 3113360
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-methoxy-N-[2-[(N'-methyl-N-pentylcarbamimidoyl)amino]ethyl]benzamide
CID 111128457
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-decyl-4-ethoxybenzamide
CID 4123784
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
2-[(4-methoxybenzoyl)amino]ethyl-methyl-dioctylazanium iodide
CID 71506107
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methoxy(11C)benzamide?
The IUPAC name of N-hexyl-4-methoxy(11C)benzamide (CID 177422178) is N-hexyl-4-methoxy(11C)benzamide.
What is the SMILES notation for N-hexyl-4-methoxy(11C)benzamide?
The canonical SMILES for N-hexyl-4-methoxy(11C)benzamide is CCCCCCN[11C](=O)c1ccc(OC)cc1.
What is the InChIKey of N-hexyl-4-methoxy(11C)benzamide?
The InChIKey is QIINXNUWICTDPH-UMSOTBISSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-5-6-11-15-14(16)12-7-9-13(17-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,15,16)/i14-1.
What are the key properties of N-hexyl-4-methoxy(11C)benzamide?
N-hexyl-4-methoxy(11C)benzamide has a molecular weight of 234.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methoxy(11C)benzamide is sourced from PubChem (CID 177422178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).