N-(2-aminopentyl)-2,6-dihydroxybenzamide

C12H18N2O3 — CID 107691454

IUPACN-(2-aminopentyl)-2,6-dihydroxybenzamide
SMILESCCCC(N)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H18N2O3/c1-2-4-8(13)7-14-12(17)11-9(15)5-3-6-10(11)16/h3,5-6,8,15-16H,2,4,7,13H2,1H3,(H,14,17)
InChIKeyHGPOKLNXSLEJRM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.95
Rot. Bonds5

About N-(2-aminopentyl)-2,6-dihydroxybenzamide

N-(2-aminopentyl)-2,6-dihydroxybenzamide (PubChem CID 107691454) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-aminopentyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-2,6-dihydroxybenzamide
PubChem CID107691454
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-aminopentyl)-2,6-dihydroxybenzamide
SMILESCCCC(N)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H18N2O3/c1-2-4-8(13)7-14-12(17)11-9(15)5-3-6-10(11)16/h3,5-6,8,15-16H,2,4,7,13H2,1H3,(H,14,17)
InChIKeyHGPOKLNXSLEJRM-UHFFFAOYSA-N
XLogP0.95
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-2,6-dihydroxybenzamide
CID 103890450
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 113346830
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
N-(2-aminopentyl)isoquinoline-1-carboxamide
CID 115737738
N-(2-aminopentyl)-2-(2-fluorophenyl)acetamide
CID 115733578
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2-aminopentyl)-2,6-dihydroxybenzamide (CID 107691454) is N-(2-aminopentyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2-aminopentyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2-aminopentyl)-2,6-dihydroxybenzamide is CCCC(N)CNC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(2-aminopentyl)-2,6-dihydroxybenzamide?
The InChIKey is HGPOKLNXSLEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-4-8(13)7-14-12(17)11-9(15)5-3-6-10(11)16/h3,5-6,8,15-16H,2,4,7,13H2,1H3,(H,14,17).
What are the key properties of N-(2-aminopentyl)-2,6-dihydroxybenzamide?
N-(2-aminopentyl)-2,6-dihydroxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107691454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).