N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide

C14H18N2O — CID 63224492

IUPACN-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CC#N)c1C
InChIInChI=1S/C14H18N2O/c1-10-6-5-7-13(12(10)3)14(17)16(4)11(2)8-9-15/h5-7,11H,8H2,1-4H3
InChIKeyNTWKZEMJKHFSPG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide

N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide (PubChem CID 63224492) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
PubChem CID63224492
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CC#N)c1C
InChIInChI=1S/C14H18N2O/c1-10-6-5-7-13(12(10)3)14(17)16(4)11(2)8-9-15/h5-7,11H,8H2,1-4H3
InChIKeyNTWKZEMJKHFSPG-UHFFFAOYSA-N
XLogP2.68
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
N-(1-cyanopropan-2-yl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 55175905
2-amino-N-(1-cyanopropan-2-yl)-N-methyl-3-nitrobenzamide
CID 112696662
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
CID 63228598
6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63224800
N-(1-cyanopropan-2-yl)-N,2,5-trimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 56523461
N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949105
N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
CID 63224778
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide (CID 63224492) is N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)CC#N)c1C.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide?
The InChIKey is NTWKZEMJKHFSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-5-7-13(12(10)3)14(17)16(4)11(2)8-9-15/h5-7,11H,8H2,1-4H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide?
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide is sourced from PubChem (CID 63224492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).