N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide

C21H27N3O — CID 141337083

IUPACN-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide
SMILESNCCCCCCNC(=O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H27N3O/c22-13-5-1-2-6-14-23-21(25)17-9-11-20(12-10-17)24-15-18-7-3-4-8-19(18)16-24/h3-4,7-12H,1-2,5-6,13-16,22H2,(H,23,25)
InChIKeyWJPGADSQJSGYJC-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.46
Rot. Bonds8

About N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide

N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide (PubChem CID 141337083) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide
PubChem CID141337083
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide
SMILESNCCCCCCNC(=O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H27N3O/c22-13-5-1-2-6-14-23-21(25)17-9-11-20(12-10-17)24-15-18-7-3-4-8-19(18)16-24/h3-4,7-12H,1-2,5-6,13-16,22H2,(H,23,25)
InChIKeyWJPGADSQJSGYJC-UHFFFAOYSA-N
XLogP3.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide?
The IUPAC name of N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide (CID 141337083) is N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide.
What is the SMILES notation for N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide?
The canonical SMILES for N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide is NCCCCCCNC(=O)c1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide?
The InChIKey is WJPGADSQJSGYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-13-5-1-2-6-14-23-21(25)17-9-11-20(12-10-17)24-15-18-7-3-4-8-19(18)16-24/h3-4,7-12H,1-2,5-6,13-16,22H2,(H,23,25).
What are the key properties of N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide?
N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide is sourced from PubChem (CID 141337083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).