N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide

C13H16N2O — CID 82471529

IUPACN-(cyanomethyl)-2,3,5,6-tetramethylbenzamide
SMILESCc1cc(C)c(C)c(C(=O)NCC#N)c1C
InChIInChI=1S/C13H16N2O/c1-8-7-9(2)11(4)12(10(8)3)13(16)15-6-5-14/h7H,6H2,1-4H3,(H,15,16)
InChIKeyOUXQRGFZHVPWOQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds2

About N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide

N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide (PubChem CID 82471529) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,3,5,6-tetramethylbenzamide
PubChem CID82471529
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(cyanomethyl)-2,3,5,6-tetramethylbenzamide
SMILESCc1cc(C)c(C)c(C(=O)NCC#N)c1C
InChIInChI=1S/C13H16N2O/c1-8-7-9(2)11(4)12(10(8)3)13(16)15-6-5-14/h7H,6H2,1-4H3,(H,15,16)
InChIKeyOUXQRGFZHVPWOQ-UHFFFAOYSA-N
XLogP2.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(cyanomethyl)-2,6-dimethylbenzamide
CID 82478635
2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
CID 82476162
2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide
CID 130610634
4-tert-butyl-N-(cyanomethyl)-2-methylbenzamide
CID 82474476
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
2-amino-5-chloro-N-(cyanomethyl)-3-methylbenzamide
CID 150816609
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-(cyanomethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 82475079
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115173755

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide?
The IUPAC name of N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide (CID 82471529) is N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide.
What is the SMILES notation for N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide?
The canonical SMILES for N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide is Cc1cc(C)c(C)c(C(=O)NCC#N)c1C.
What is the InChIKey of N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide?
The InChIKey is OUXQRGFZHVPWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-7-9(2)11(4)12(10(8)3)13(16)15-6-5-14/h7H,6H2,1-4H3,(H,15,16).
What are the key properties of N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide?
N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide has a molecular weight of 216.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide is sourced from PubChem (CID 82471529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).