N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide

C12H14N2O2 — CID 103865375

IUPACN-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)CC#N
InChIInChI=1S/C12H14N2O2/c1-8-7-10(15)3-4-11(8)12(16)14-9(2)5-6-13/h3-4,7,9,15H,5H2,1-2H3,(H,14,16)
InChIKeyJJOQHNJYDOPOTR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.73
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide

N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide (PubChem CID 103865375) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
PubChem CID103865375
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)CC#N
InChIInChI=1S/C12H14N2O2/c1-8-7-10(15)3-4-11(8)12(16)14-9(2)5-6-13/h3-4,7,9,15H,5H2,1-2H3,(H,14,16)
InChIKeyJJOQHNJYDOPOTR-UHFFFAOYSA-N
XLogP1.73
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
N-(1-cyanopropan-2-yl)-3,4-dihydroxybenzamide
CID 103956790
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
2-[(4-hydroxy-2-methylbenzoyl)amino]pent-4-ynoic acid
CID 107670902
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
CID 107673096
N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 94346399
N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide (CID 103865375) is N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide?
The InChIKey is JJOQHNJYDOPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-7-10(15)3-4-11(8)12(16)14-9(2)5-6-13/h3-4,7,9,15H,5H2,1-2H3,(H,14,16).
What are the key properties of N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide?
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide has a molecular weight of 218.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103865375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).