N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide

C14H22N2O3 — CID 106250427

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
SMILESCCC(CC)(CN)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H22N2O3/c1-3-14(4-2,8-15)9-16-13(19)12-10(17)6-5-7-11(12)18/h5-7,17-18H,3-4,8-9,15H2,1-2H3,(H,16,19)
InChIKeyFPKQHLYQNQTDTQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide

N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide (PubChem CID 106250427) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
PubChem CID106250427
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
SMILESCCC(CC)(CN)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H22N2O3/c1-3-14(4-2,8-15)9-16-13(19)12-10(17)6-5-7-11(12)18/h5-7,17-18H,3-4,8-9,15H2,1-2H3,(H,16,19)
InChIKeyFPKQHLYQNQTDTQ-UHFFFAOYSA-N
XLogP1.59
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Salacetamide
CID 10252
Edasalonexent
CID 44626120
N,N'-1,2-Ethanediylbis(2-hydroxybenzamide)
CID 95934
Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
Salicylic acid ethanolamide
CID 90407
N-Methylsalicylamide
CID 74624
2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide
CID 90408
Methylol salicylamide
CID 95698
N,N'-1,3-Propanediylbis(2-hydroxybenzamide)
CID 212503
2,6-Dihydroxybenzamide
CID 76602
N-Benzyl-2-hydroxybenzamide
CID 561227
2-Hydroxy-n-(2-phenylethyl)benzamide
CID 222726

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide (CID 106250427) is N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide is CCC(CC)(CN)CNC(=O)c1c(O)cccc1O.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide?
The InChIKey is FPKQHLYQNQTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-14(4-2,8-15)9-16-13(19)12-10(17)6-5-7-11(12)18/h5-7,17-18H,3-4,8-9,15H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 106250427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).