N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide

C22H28N2O2 — CID 141337062

IUPACN-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCCCN1Cc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-26-21-13-7-6-12-20(21)22(25)23-14-8-2-3-9-15-24-16-18-10-4-5-11-19(18)17-24/h4-7,10-13H,2-3,8-9,14-17H2,1H3,(H,23,25)
InChIKeyOEOFGCKMVKNGJP-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.00
Rot. Bonds9

About N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide

N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide (PubChem CID 141337062) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
PubChem CID141337062
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCCCN1Cc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-26-21-13-7-6-12-20(21)22(25)23-14-8-2-3-9-15-24-16-18-10-4-5-11-19(18)17-24/h4-7,10-13H,2-3,8-9,14-17H2,1H3,(H,23,25)
InChIKeyOEOFGCKMVKNGJP-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 142795437
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
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2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
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2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
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2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide?
The IUPAC name of N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide (CID 141337062) is N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCCCCN1Cc2ccccc2C1.
What is the InChIKey of N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide?
The InChIKey is OEOFGCKMVKNGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-13-7-6-12-20(21)22(25)23-14-8-2-3-9-15-24-16-18-10-4-5-11-19(18)17-24/h4-7,10-13H,2-3,8-9,14-17H2,1H3,(H,23,25).
What are the key properties of N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide?
N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide has a molecular weight of 352.48 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide is sourced from PubChem (CID 141337062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).