N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide

C11H12N2O3 — CID 103892231

IUPACN-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H12N2O3/c1-13(4-2-3-12)11(16)8-5-9(14)7-10(15)6-8/h5-7,14-15H,2,4H2,1H3
InChIKeyDIYDZZXKYVQUGJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.08
Rot. Bonds3

About N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide

N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide (PubChem CID 103892231) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
PubChem CID103892231
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H12N2O3/c1-13(4-2-3-12)11(16)8-5-9(14)7-10(15)6-8/h5-7,14-15H,2,4H2,1H3
InChIKeyDIYDZZXKYVQUGJ-UHFFFAOYSA-N
XLogP1.08
TPSA84.56 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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
N-(2-cyanoethyl)-N,3-dimethyl-5-nitrobenzamide
CID 113227352
2-chloro-N-(2-cyanoethyl)-6-ethyl-N-methylpyridine-4-carboxamide
CID 113379723
N-(3-chlorobutyl)-3,5-dihydroxy-N-methylbenzamide
CID 107706167
N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997858
N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098629
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide (CID 103892231) is N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide is CN(CCC#N)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide?
The InChIKey is DIYDZZXKYVQUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13(4-2-3-12)11(16)8-5-9(14)7-10(15)6-8/h5-7,14-15H,2,4H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide?
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide has a molecular weight of 220.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 103892231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).