N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide

C14H22N2O2 — CID 82830395

IUPACN-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
SMILESCCC(CCN)CNC(=O)c1cccc(O)c1C
InChIInChI=1S/C14H22N2O2/c1-3-11(7-8-15)9-16-14(18)12-5-4-6-13(17)10(12)2/h4-6,11,17H,3,7-9,15H2,1-2H3,(H,16,18)
InChIKeyGIKCPSNWWASGGM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds6

About N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide

N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82830395) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
PubChem CID82830395
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
SMILESCCC(CCN)CNC(=O)c1cccc(O)c1C
InChIInChI=1S/C14H22N2O2/c1-3-11(7-8-15)9-16-14(18)12-5-4-6-13(17)10(12)2/h4-6,11,17H,3,7-9,15H2,1-2H3,(H,16,18)
InChIKeyGIKCPSNWWASGGM-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
methyl 2-bromo-3-[(3-hydroxy-2-methylbenzoyl)amino]propanoate
CID 103492371
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
N-(2-ethylbutyl)-2,6-dihydroxybenzamide
CID 103890450

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide (CID 82830395) is N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide is CCC(CCN)CNC(=O)c1cccc(O)c1C.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is GIKCPSNWWASGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11(7-8-15)9-16-14(18)12-5-4-6-13(17)10(12)2/h4-6,11,17H,3,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide?
N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82830395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).