N-(2-cyanopropyl)-N,2,6-trimethylbenzamide

C14H18N2O — CID 113258335

IUPACN-(2-cyanopropyl)-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)CC(C)C#N
InChIInChI=1S/C14H18N2O/c1-10(8-15)9-16(4)14(17)13-11(2)6-5-7-12(13)3/h5-7,10H,9H2,1-4H3
InChIKeyHCVCNLQDCVQCAL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.54
Rot. Bonds3

About N-(2-cyanopropyl)-N,2,6-trimethylbenzamide

N-(2-cyanopropyl)-N,2,6-trimethylbenzamide (PubChem CID 113258335) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,2,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,2,6-trimethylbenzamide
PubChem CID113258335
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-cyanopropyl)-N,2,6-trimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N(C)CC(C)C#N
InChIInChI=1S/C14H18N2O/c1-10(8-15)9-16(4)14(17)13-11(2)6-5-7-12(13)3/h5-7,10H,9H2,1-4H3
InChIKeyHCVCNLQDCVQCAL-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
CID 103769304
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62235917
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,2,6-trimethylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-N,2,6-trimethylbenzamide (CID 113258335) is N-(2-cyanopropyl)-N,2,6-trimethylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,2,6-trimethylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-N,2,6-trimethylbenzamide is Cc1cccc(C)c1C(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-N,2,6-trimethylbenzamide?
The InChIKey is HCVCNLQDCVQCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(8-15)9-16(4)14(17)13-11(2)6-5-7-12(13)3/h5-7,10H,9H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N,2,6-trimethylbenzamide?
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,2,6-trimethylbenzamide is sourced from PubChem (CID 113258335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).