N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide

C11H12N2O3 — CID 55207961

IUPACN-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(C)C#N)c1
InChIInChI=1S/C11H12N2O3/c1-7(6-12)13-11(15)9-5-8(16-2)3-4-10(9)14/h3-5,7,14H,1-2H3,(H,13,15)
InChIKeyUQUHPIKUFKMRJQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.04
Rot. Bonds3

About N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide

N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 55207961) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
PubChem CID55207961
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(C)C#N)c1
InChIInChI=1S/C11H12N2O3/c1-7(6-12)13-11(15)9-5-8(16-2)3-4-10(9)14/h3-5,7,14H,1-2H3,(H,13,15)
InChIKeyUQUHPIKUFKMRJQ-UHFFFAOYSA-N
XLogP1.04
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
N-(dicyclopropylmethyl)-2-hydroxy-5-methoxybenzamide
CID 54943396
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 77039292
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide (CID 55207961) is N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC(C)C#N)c1.
What is the InChIKey of N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is UQUHPIKUFKMRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(6-12)13-11(15)9-5-8(16-2)3-4-10(9)14/h3-5,7,14H,1-2H3,(H,13,15).
What are the key properties of N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide?
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 220.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 55207961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).