N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide

C13H16N2O2 — CID 82829304

IUPACN-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC(C)C#N
InChIInChI=1S/C13H16N2O2/c1-9(7-14)8-15(3)13(17)11-5-4-6-12(16)10(11)2/h4-6,9,16H,8H2,1-3H3
InChIKeyXPGFZWHGMMMISM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds3

About N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide

N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 82829304) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
PubChem CID82829304
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC(C)C#N
InChIInChI=1S/C13H16N2O2/c1-9(7-14)8-15(3)13(17)11-5-4-6-12(16)10(11)2/h4-6,9,16H,8H2,1-3H3
InChIKeyXPGFZWHGMMMISM-UHFFFAOYSA-N
XLogP1.93
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012555

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide (CID 82829304) is N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is XPGFZWHGMMMISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(7-14)8-15(3)13(17)11-5-4-6-12(16)10(11)2/h4-6,9,16H,8H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide?
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 82829304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).