N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H18N2O — CID 107126662

IUPACN-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(C#N)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H18N2O/c1-15(2,10-16)17-14(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,13H,7-9H2,1-2H3,(H,17,18)
InChIKeyNWQDRQAAIHGINE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.21
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126662) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126662
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(C#N)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H18N2O/c1-15(2,10-16)17-14(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,13H,7-9H2,1-2H3,(H,17,18)
InChIKeyNWQDRQAAIHGINE-UHFFFAOYSA-N
XLogP2.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106166704
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 79005605
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126694
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894284
N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126391
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126662) is N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)(C#N)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is NWQDRQAAIHGINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,10-16)17-14(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,13H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).