N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H18N2O — CID 55090369

IUPACN-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C#N)N(C)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H18N2O/c1-11(10-16)17(2)15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14H,5,7,9H2,1-2H3
InChIKeyJXGNDJASCQNYJX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.48
Rot. Bonds2

About N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 55090369) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID55090369
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C#N)N(C)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H18N2O/c1-11(10-16)17(2)15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14H,5,7,9H2,1-2H3
InChIKeyJXGNDJASCQNYJX-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-(4-aminophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719075
N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63754765
N-(5-bromopentyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107206241
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 77044925
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 102873281
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-yn-1-one
CID 63247450

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 55090369) is N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C#N)N(C)C(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is JXGNDJASCQNYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(10-16)17(2)15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14H,5,7,9H2,1-2H3.
What are the key properties of N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 55090369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).